A0A077YZ55_TRITR Loading...

Transcription initiation factor IIA subunit 2

TFIIA is a component of the transcription machinery of RNA polymerase II and plays an important role in transcriptional activation.

AlphaFold DB , UniProt , Accession A0A077YZ55, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 126 aa.

						>A0A077YZ55_TRITR|A0A077YZ55
MAYQLYRNTTLGLTLQETLDEFIQSGQISQQLAFKILTFYDRTINKVLSTKVRSKVQFRAGKLRTYRFCDNVWTFVMEHVEFRDTQEVVFAERVKFVACDGRANPGGAGEPAASSAAVASSGGDSF
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	63.9	Low	90.5	Very high	198 Å²	198	76.2 Å²	76.2	98%	0.975	39%	0.393	S	S	*	.				0	134.7	0	-169.8	58.5	179.3	0	0	107.7
2	A	81.6	Confident	91	Very high	23 Å²	23	69.8 Å²	69.8	19%	0.19	36%	0.36	C	S	.	.			trans	-99.9	137.1	177.7	0	0	0	0	0	109.7	Q4 D41 R42	A2-Q4 PolarHBondContact O-N 2.85Å; A2-D41 HydrophobicContact CB-CB 3.9Å; A2-R42 HydrophobicContact CB-CG 4.14Å
3	Y	88.2	Confident	91.5	Very high	66 Å²	66	70.2 Å²	70.2	26%	0.259	36%	0.363	S	S	.	.			trans	-70.8	128.2	178.3	-66.7	-60.8	0	0	0	111	L5 N45 C99 D100 A103	Y3-L5 VanDerWaalsContact C-N 3.27Å; Y3-N45 WeakPolarHBondContact CD2-OD1 3.31Å; Y3-N45 PolarHBondContact N-ND2 2.73Å; Y3-N45 PolarHBondContact N-OD1 3.28Å; Y3-N45 PolarHBondContact O-ND2 2.99Å; Y3-C99 HydrophobicContact CD1-CB 3.85Å; Y3-C99 HydrophobicContact CE1-CB 3.64Å; Y3-C99 HydrophobicContact CE2-CB 4.3Å; Y3-C99 HydrophobicContact CG-CB 4.31Å; Y3-D100 PolarHBondContact OH-O 3.24Å; Y3-A103 WeakPolarHBondContact OH-CB 3.44Å
4	Q	92.2	Very high	92	Very high	100 Å²	100	70.2 Å²	70.2	47%	0.467	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-83.2	-4.6	174.2	-63.1	-179.6	-0.5	0	0	112.6	A2 Y6 R7	A2-Q4 PolarHBondContact O-N 2.85Å; Q4-Y6 PolarHBondContact O-N 3.49Å; Q4-Y6 VanDerWaalsContact O-N 3.11Å; Q4-R7 WeakPolarHBondContact O-CB 3.43Å; Q4-R7 WeakPolarHBondContact O-CG 3.45Å; Q4-R7 PolarHBondContact O-N 3.37Å
5	L	92.9	Very high	92.4	Very high	37 Å²	37	68.5 Å²	68.5	19%	0.194	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-52	-36.9	-179.6	178	64.4	0	0	0	112.4	Y3 R7 N8 V97	Y3-L5 VanDerWaalsContact C-N 3.27Å; L5-R7 PolarHBondContact O-N 2.94Å; L5-N8 PolarHBondContact O-N 3.41Å; L5-V97 HydrophobicContact CD1-CB 4.08Å; L5-V97 HydrophobicContact CD1-CG1 3.58Å; L5-V97 HydrophobicContact CD2-CB 4.44Å; L5-V97 HydrophobicContact CD2-CG1 4.15Å
6	Y	95	Very high	92.7	Very high	28 Å²	28	67.4 Å²	67.4	11%	0.11	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-69.7	-12.5	-177.2	-59	-66.4	0	0	0	114	Q4 N8 T9 Y40 I44 L48 A116 V118	Q4-Y6 PolarHBondContact O-N 3.49Å; Q4-Y6 VanDerWaalsContact O-N 3.11Å; Y6-N8 PolarHBondContact O-N 2.95Å; Y6-T9 HydrophobicContact CD1-CG2 4.22Å; Y6-T9 WeakPolarHBondContact O-CB 3.49Å; Y6-T9 WeakPolarHBondContact O-CG2 3.4Å; Y6-T9 PolarHBondContact O-N 3.02Å; Y6-T9 PolarHBondContact O-OG1 3.42Å; Y6-Y40 PolarHBondContact O-OH 3.37Å; Y6-I44 HydrophobicContact CD2-CG1 4.41Å; Y6-I44 HydrophobicContact CD2-CG2 3.75Å; Y6-I44 HydrophobicContact CG-CG1 4.15Å; Y6-I44 HydrophobicContact CG-CG2 4.05Å; Y6-L48 HydrophobicContact CD1-CD1 3.98Å; Y6-L48 HydrophobicContact CE1-CD1 3.47Å; Y6-L48 VanDerWaalsContact CE1-CD1 3.47Å; Y6-L48 HydrophobicContact CE2-CD1 4.08Å; Y6-L48 HydrophobicContact CG-CD1 4.48Å; Y6-A116 HydrophobicContact CE1-CB 4.46Å; Y6-A116 WeakPolarHBondContact OH-CB 3.23Å; Y6-V118 HydrophobicContact CD1-CG2 3.72Å; Y6-V118 HydrophobicContact CE1-CG2 3.71Å
7	R	96.1	Very high	93	Very high	26 Å²	26	70 Å²	70	10%	0.098	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-62.4	-25.8	172.7	-64.1	-175.6	-174.4	-168.6	2.2	112.6	Q4 L5 T9 G12 L13 Q16 Y40 D41	Q4-R7 WeakPolarHBondContact O-CB 3.43Å; Q4-R7 WeakPolarHBondContact O-CG 3.45Å; Q4-R7 PolarHBondContact O-N 3.37Å; L5-R7 PolarHBondContact O-N 2.94Å; R7-T9 VanDerWaalsContact C-N 3.28Å; R7-T9 PolarHBondContact O-N 3.37Å; R7-G12 CarbonylContact O-C 3.48Å; R7-G12 VanDerWaalsContact O-CA 3.31Å; R7-G12 WeakPolarHBondContact O-CA 3.27Å; R7-L13 PolarHBondContact O-N 3.22Å; R7-Q16 PolarHBondContact O-NE2 3.26Å; R7-Y40 HydrophobicContact CG-CD1 4.29Å; R7-Y40 HydrophobicContact CG-CE1 4.19Å; R7-D41 WeakPolarHBondContact CG-OD1 3.42Å; R7-D41 IonicContact CZ-OD1 2.87Å; R7-D41 IonicContact CZ-OD2 3.3Å; R7-D41 IonicContact NE-OD1 2.76Å; R7-D41 PolarHBondContact NE-OD1 3.11Å; R7-D41 IonicContact NE-OD2 3.75Å; R7-D41 PolarHBondContact NE-OD2 2.67Å; R7-D41 IonicContact NH2-OD1 2.87Å; R7-D41 IonicContact NH2-OD2 3.74Å; R7-D41 PolarHBondContact NH2-OD2 3.3Å
8	N	95.8	Very high	93.3	Very high	107 Å²	107	69 Å²	69	57%	0.572	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-87.4	9.3	176	-66	-18.1	0	0	0	113.5	L5 Y6	L5-N8 PolarHBondContact O-N 3.41Å; Y6-N8 PolarHBondContact O-N 2.95Å
9	T	96.2	Very high	93.5	Very high	29 Å²	29	65.7 Å²	65.7	18%	0.178	34%	0.342	C	S	.	.	S	Bend	trans	-80.9	161.6	167.8	65.2	0	0	0	0	109.7	Y6 R7 L11 G12 L13 Y40 V118	Y6-T9 HydrophobicContact CD1-CG2 4.22Å; Y6-T9 WeakPolarHBondContact O-CB 3.49Å; Y6-T9 WeakPolarHBondContact O-CG2 3.4Å; Y6-T9 PolarHBondContact O-N 3.02Å; Y6-T9 PolarHBondContact O-OG1 3.42Å; R7-T9 VanDerWaalsContact C-N 3.28Å; R7-T9 PolarHBondContact O-N 3.37Å; T9-L11 PolarHBondContact O-N 3.1Å; T9-G12 CarbonylContact O-C 3.54Å; T9-G12 WeakPolarHBondContact O-CA 3.46Å; T9-G12 PolarHBondContact O-N 3.48Å; T9-G12 PolarHBondContact OG1-N 3.33Å; T9-L13 WeakPolarHBondContact O-CG 3.46Å; T9-L13 PolarHBondContact O-N 2.85Å; T9-Y40 PolarHBondContact OG1-OH 2.9Å; T9-V118 HydrophobicContact CG2-CB 4.49Å; T9-V118 HydrophobicContact CG2-CG1 3.63Å; T9-V118 HydrophobicContact CG2-CG2 3.98Å
10	T	97.1	Very high	93.7	Very high	116 Å²	116	66.6 Å²	66.6	71%	0.712	35%	0.347	S	S	*	.	H	α-helix	trans	-49.7	-45.3	173.2	-49.1	0	0	0	0	111.9	G12 L13 T14	T10-G12 VanDerWaalsContact C-N 3.34Å; T10-G12 PolarHBondContact O-N 3.26Å; T10-L13 PolarHBondContact O-N 3.42Å; T10-T14 WeakPolarHBondContact O-CB 3.48Å; T10-T14 PolarHBondContact O-N 3.16Å; T10-T14 PolarHBondContact O-OG1 3.01Å
11	L	96.8	Very high	93.9	Very high	108 Å²	108	69.3 Å²	69.3	57%	0.565	36%	0.358	S	S	*	.	H	α-helix	trans	-62	-40.7	177.8	-178.2	64.7	0	0	0	112.5	T9 L15 Y40 I44	T9-L11 PolarHBondContact O-N 3.1Å; L11-L15 WeakPolarHBondContact O-CB 3.24Å; L11-L15 PolarHBondContact O-N 3.44Å; L11-Y40 HydrophobicContact CD2-CE2 4.01Å; L11-Y40 HydrophobicContact CG-CE2 4.04Å; L11-I44 HydrophobicContact CD2-CD1 4.38Å
12	G	96.7	Very high	95.5	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-71.4	-37.2	178.1	0	0	0	0	0	113.1	R7 T9 T10 Q16 Y40	R7-G12 CarbonylContact O-C 3.48Å; R7-G12 VanDerWaalsContact O-CA 3.31Å; R7-G12 WeakPolarHBondContact O-CA 3.27Å; T9-G12 CarbonylContact O-C 3.54Å; T9-G12 WeakPolarHBondContact O-CA 3.46Å; T9-G12 PolarHBondContact O-N 3.48Å; T9-G12 PolarHBondContact OG1-N 3.33Å; T10-G12 VanDerWaalsContact C-N 3.34Å; T10-G12 PolarHBondContact O-N 3.26Å; G12-Q16 VanDerWaalsContact O-CG 3.3Å; G12-Q16 WeakPolarHBondContact O-CG 3.46Å; G12-Q16 PolarHBondContact O-N 2.8Å; G12-Q16 VanDerWaalsContact O-N 3.08Å; G12-Q16 PolarHBondContact O-NE2 3.27Å; G12-Y40 PolarHBondContact N-OH 2.98Å
13	L	97.5	Very high	96.2	Very high	75 Å²	75	65.1 Å²	65.1	39%	0.393	33%	0.332	S	S	.	.	H	α-helix	trans	-67.5	-51.2	177.1	-69.4	173.7	0	0	0	110.8	R7 T9 T10 L15 Q16 E17	R7-L13 PolarHBondContact O-N 3.22Å; T9-L13 WeakPolarHBondContact O-CG 3.46Å; T9-L13 PolarHBondContact O-N 2.85Å; T10-L13 PolarHBondContact O-N 3.42Å; L13-L15 VanDerWaalsContact C-N 3.25Å; L13-L15 PolarHBondContact O-N 2.98Å; L13-Q16 WeakPolarHBondContact O-CA 3.43Å; L13-Q16 WeakPolarHBondContact O-CB 3.41Å; L13-Q16 PolarHBondContact O-N 3.34Å; L13-E17 WeakPolarHBondContact O-CG 3.5Å; L13-E17 PolarHBondContact O-N 3.31Å
14	T	98	Very high	96.6	Very high	70 Å²	70	69.7 Å²	69.7	43%	0.429	36%	0.355	S	S	.	.	H	α-helix	trans	-60	-36.5	178.1	-54.5	0	0	0	0	112.2	T10 T18	T10-T14 WeakPolarHBondContact O-CB 3.48Å; T10-T14 PolarHBondContact O-N 3.16Å; T10-T14 PolarHBondContact O-OG1 3.01Å; T14-T18 WeakPolarHBondContact O-CB 3.22Å; T14-T18 PolarHBondContact O-N 3.01Å; T14-T18 PolarHBondContact O-OG1 3.22Å
15	L	97.7	Very high	96.9	Very high	45 Å²	45	68.4 Å²	68.4	24%	0.236	36%	0.357	C	S	.	.	H	α-helix	trans	-63.7	-44.1	173.1	176.8	62.6	0	0	0	111.7	L11 L13 T18 L19 I36 L37 Y40	L11-L15 WeakPolarHBondContact O-CB 3.24Å; L11-L15 PolarHBondContact O-N 3.44Å; L13-L15 VanDerWaalsContact C-N 3.25Å; L13-L15 PolarHBondContact O-N 2.98Å; L15-T18 PolarHBondContact O-N 2.98Å; L15-L19 HydrophobicContact CD1-CD1 4.17Å; L15-L19 HydrophobicContact CD1-CG 4.22Å; L15-L19 HydrophobicContact CG-CD1 4.06Å; L15-L19 HydrophobicContact CG-CG 4.5Å; L15-L19 WeakPolarHBondContact O-CB 3.47Å; L15-L19 WeakPolarHBondContact O-CG 3.41Å; L15-L19 PolarHBondContact O-N 3.45Å; L15-I36 HydrophobicContact CD1-CG2 4.44Å; L15-L37 HydrophobicContact CD2-CD2 4.1Å; L15-L37 HydrophobicContact CG-CD2 4.32Å; L15-Y40 HydrophobicContact CD2-CD1 4.39Å; L15-Y40 HydrophobicContact CD2-CD2 3.59Å; L15-Y40 HydrophobicContact CD2-CE2 4.31Å; L15-Y40 HydrophobicContact CD2-CG 3.64Å
16	Q	97.5	Very high	97	Very high	50 Å²	50	69.6 Å²	69.6	23%	0.234	38%	0.379	C	S	.	.	H	α-helix	trans	-64.2	-45.7	178.2	-74.3	170.2	113.3	0	0	111.3	R7 G12 L13 T18 L19 D20 L37	R7-Q16 PolarHBondContact O-NE2 3.26Å; G12-Q16 VanDerWaalsContact O-CG 3.3Å; G12-Q16 WeakPolarHBondContact O-CG 3.46Å; G12-Q16 PolarHBondContact O-N 2.8Å; G12-Q16 VanDerWaalsContact O-N 3.08Å; G12-Q16 PolarHBondContact O-NE2 3.27Å; L13-Q16 WeakPolarHBondContact O-CA 3.43Å; L13-Q16 WeakPolarHBondContact O-CB 3.41Å; L13-Q16 PolarHBondContact O-N 3.34Å; Q16-T18 VanDerWaalsContact C-N 3.34Å; Q16-T18 PolarHBondContact O-N 3.14Å; Q16-L19 PolarHBondContact O-N 3.08Å; Q16-L19 VanDerWaalsContact O-N 3.14Å; Q16-D20 PolarHBondContact O-N 3.4Å; Q16-L37 HydrophobicContact CG-CD1 4.26Å; Q16-L37 HydrophobicContact CG-CD2 3.69Å
17	E	97.6	Very high	97	Very high	112 Å²	112	74.7 Å²	74.7	52%	0.523	40%	0.404	S	S	.	.	H	α-helix	trans	-56	-47.6	175.2	-69.9	165.9	176.9	0	0	111.3	L13 L19 D20 E21	L13-E17 WeakPolarHBondContact O-CG 3.5Å; L13-E17 PolarHBondContact O-N 3.31Å; E17-L19 VanDerWaalsContact C-N 3.35Å; E17-L19 PolarHBondContact O-N 2.87Å; E17-D20 PolarHBondContact O-N 2.97Å; E17-E21 WeakPolarHBondContact O-CG 3.3Å; E17-E21 PolarHBondContact O-N 3.36Å
18	T	97.8	Very high	97	Very high	52 Å²	52	75 Å²	75	32%	0.319	41%	0.407	S	S	.	.	H	α-helix	trans	-62	-41.4	177	-54.3	0	0	0	0	112	T14 L15 Q16 D20 E21 F22	T14-T18 WeakPolarHBondContact O-CB 3.22Å; T14-T18 PolarHBondContact O-N 3.01Å; T14-T18 PolarHBondContact O-OG1 3.22Å; L15-T18 PolarHBondContact O-N 2.98Å; Q16-T18 VanDerWaalsContact C-N 3.34Å; Q16-T18 PolarHBondContact O-N 3.14Å; T18-D20 VanDerWaalsContact C-N 3.34Å; T18-E21 PolarHBondContact O-N 2.98Å; T18-F22 HydrophobicContact CG2-CD2 4.46Å; T18-F22 HydrophobicContact CG2-CE1 4.35Å; T18-F22 HydrophobicContact CG2-CE2 3.99Å; T18-F22 HydrophobicContact CG2-CZ 3.93Å; T18-F22 WeakPolarHBondContact O-CG 3.39Å; T18-F22 PolarHBondContact O-N 3.4Å; T18-F22 VanDerWaalsContact O-N 3.1Å
19	L	97.8	Very high	97.1	Very high	7 Å²	7	72.6 Å²	72.6	4%	0.037	40%	0.399	C	S	.	.	H	α-helix	trans	-66.7	-37.6	177.8	-71.7	173.6	0	0	0	111.6	L15 Q16 E17 F22 I23 I28 A33 I36 L37	L15-L19 HydrophobicContact CD1-CD1 4.17Å; L15-L19 HydrophobicContact CD1-CG 4.22Å; L15-L19 HydrophobicContact CG-CD1 4.06Å; L15-L19 HydrophobicContact CG-CG 4.5Å; L15-L19 WeakPolarHBondContact O-CB 3.47Å; L15-L19 WeakPolarHBondContact O-CG 3.41Å; L15-L19 PolarHBondContact O-N 3.45Å; Q16-L19 PolarHBondContact O-N 3.08Å; Q16-L19 VanDerWaalsContact O-N 3.14Å; E17-L19 VanDerWaalsContact C-N 3.35Å; E17-L19 PolarHBondContact O-N 2.87Å; L19-F22 PolarHBondContact O-N 3.22Å; L19-I23 VanDerWaalsContact O-CG1 3.27Å; L19-I23 WeakPolarHBondContact O-CG1 3.47Å; L19-I23 PolarHBondContact O-N 2.82Å; L19-I28 HydrophobicContact CD2-CD1 3.78Å; L19-A33 HydrophobicContact CB-CB 4.16Å; L19-A33 HydrophobicContact CD1-CB 4.32Å; L19-A33 HydrophobicContact CD2-CB 4.26Å; L19-A33 HydrophobicContact CG-CB 4.49Å; L19-I36 HydrophobicContact CD1-CB 4.29Å; L19-I36 HydrophobicContact CD1-CG2 4.06Å; L19-I36 HydrophobicContact CD2-CB 4.31Å; L19-I36 HydrophobicContact CD2-CD1 3.67Å; L19-I36 HydrophobicContact CD2-CG2 4.17Å; L19-L37 HydrophobicContact CD1-CD1 4.49Å; L19-L37 HydrophobicContact CD1-CD2 3.82Å; L19-L37 HydrophobicContact CD1-CG 3.78Å
20	D	97.4	Very high	97.1	Very high	83 Å²	83	78.4 Å²	78.4	44%	0.444	42%	0.424	S	S	.	.	H	α-helix	trans	-66.8	-39.6	176.6	-72.6	-25.2	0	0	0	111.4	Q16 E17 T18 F22 I23 Q24	Q16-D20 PolarHBondContact O-N 3.4Å; E17-D20 PolarHBondContact O-N 2.97Å; T18-D20 VanDerWaalsContact C-N 3.34Å; D20-F22 PolarHBondContact O-N 2.95Å; D20-I23 PolarHBondContact O-N 3.1Å; D20-Q24 WeakPolarHBondContact O-CB 3.31Å; D20-Q24 VanDerWaalsContact O-CG 3.24Å; D20-Q24 WeakPolarHBondContact O-CG 3.39Å; D20-Q24 PolarHBondContact O-N 3.2Å
21	E	97.7	Very high	97.1	Very high	123 Å²	123	79.8 Å²	79.8	58%	0.575	42%	0.422	S	S	*	.	H	α-helix	trans	-60.4	-42	171.7	-72.4	179.3	-170.5	0	0	112.4	E17 T18 I23 Q24 S25	E17-E21 WeakPolarHBondContact O-CG 3.3Å; E17-E21 PolarHBondContact O-N 3.36Å; T18-E21 PolarHBondContact O-N 2.98Å; E21-I23 VanDerWaalsContact C-N 3.34Å; E21-I23 PolarHBondContact O-N 3.45Å; E21-Q24 PolarHBondContact O-N 3.07Å; E21-S25 WeakPolarHBondContact O-CB 3.5Å; E21-S25 PolarHBondContact O-N 3.02Å; E21-S25 PolarHBondContact O-OG 3.02Å
22	F	97.6	Very high	97.1	Very high	82 Å²	82	78.3 Å²	78.3	36%	0.36	42%	0.415	S	S	.	.	H	α-helix	trans	-68.3	-31.8	176.6	-69.3	-10.5	0	0	0	113.1	T18 L19 D20 S25 G26 Q27 I28	T18-F22 HydrophobicContact CG2-CD2 4.46Å; T18-F22 HydrophobicContact CG2-CE1 4.35Å; T18-F22 HydrophobicContact CG2-CE2 3.99Å; T18-F22 HydrophobicContact CG2-CZ 3.93Å; T18-F22 WeakPolarHBondContact O-CG 3.39Å; T18-F22 PolarHBondContact O-N 3.4Å; T18-F22 VanDerWaalsContact O-N 3.1Å; L19-F22 PolarHBondContact O-N 3.22Å; D20-F22 PolarHBondContact O-N 2.95Å; F22-S25 WeakPolarHBondContact CA-OG 3.45Å; F22-S25 PolarHBondContact O-OG 2.93Å; F22-G26 PolarHBondContact O-N 3.43Å; F22-Q27 HydrophobicContact CB-CB 4.44Å; F22-Q27 PolarHBondContact O-N 3.39Å; F22-I28 HydrophobicContact CB-CD1 3.6Å; F22-I28 HydrophobicContact CB-CG1 3.65Å; F22-I28 HydrophobicContact CB-CG2 4.37Å; F22-I28 HydrophobicContact CD2-CD1 4.27Å; F22-I28 HydrophobicContact CG-CD1 4.48Å; F22-I28 PolarHBondContact O-N 3.33Å
23	I	97.5	Very high	97.1	Very high	51 Å²	51	78.6 Å²	78.6	26%	0.262	42%	0.417	S	S	.	.	H	α-helix	trans	-69.7	-46.7	172.8	-68.1	163.5	0	0	0	110	L19 D20 E21 S25 G26 I28 Q30 A33	L19-I23 VanDerWaalsContact O-CG1 3.27Å; L19-I23 WeakPolarHBondContact O-CG1 3.47Å; L19-I23 PolarHBondContact O-N 2.82Å; D20-I23 PolarHBondContact O-N 3.1Å; E21-I23 VanDerWaalsContact C-N 3.34Å; E21-I23 PolarHBondContact O-N 3.45Å; I23-S25 VanDerWaalsContact C-N 3.32Å; I23-S25 PolarHBondContact O-N 3.41Å; I23-G26 PolarHBondContact O-N 2.83Å; I23-I28 HydrophobicContact CG1-CD1 4.28Å; I23-I28 HydrophobicContact CG1-CG1 3.88Å; I23-Q30 HydrophobicContact CD1-CB 4.47Å; I23-Q30 HydrophobicContact CD1-CG 4.44Å; I23-A33 HydrophobicContact CD1-CB 3.71Å; I23-A33 HydrophobicContact CG1-CB 4.3Å
24	Q	96.9	Very high	97	Very high	162 Å²	162	80.8 Å²	80.8	76%	0.757	42%	0.424	S	S	*	.	H	α-helix	trans	-63.7	-36.9	-178.7	-72.6	173.3	41	0	0	112.5	D20 E21 G26	D20-Q24 WeakPolarHBondContact O-CB 3.31Å; D20-Q24 VanDerWaalsContact O-CG 3.24Å; D20-Q24 WeakPolarHBondContact O-CG 3.39Å; D20-Q24 PolarHBondContact O-N 3.2Å; E21-Q24 PolarHBondContact O-N 3.07Å; Q24-G26 PolarHBondContact O-N 3.08Å
25	S	96.9	Very high	97	Very high	73 Å²	73	84.5 Å²	84.5	51%	0.51	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-3.6	174	57.9	0	0	0	0	114.1	E21 F22 I23 Q27	E21-S25 WeakPolarHBondContact O-CB 3.5Å; E21-S25 PolarHBondContact O-N 3.02Å; E21-S25 PolarHBondContact O-OG 3.02Å; F22-S25 WeakPolarHBondContact CA-OG 3.45Å; F22-S25 PolarHBondContact O-OG 2.93Å; I23-S25 VanDerWaalsContact C-N 3.32Å; I23-S25 PolarHBondContact O-N 3.41Å; S25-Q27 VanDerWaalsContact C-N 3.25Å; S25-Q27 PolarHBondContact O-N 3.12Å; S25-Q27 WeakPolarHBondContact OG-CG 3.44Å
26	G	95.6	Very high	96.9	Very high	63 Å²	63	85.2 Å²	85.2	65%	0.649	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	13.2	180	0	0	0	0	0	114.6	F22 I23 Q24	F22-G26 PolarHBondContact O-N 3.43Å; I23-G26 PolarHBondContact O-N 2.83Å; Q24-G26 PolarHBondContact O-N 3.08Å
27	Q	95.6	Very high	96.9	Very high	134 Å²	134	83.8 Å²	83.8	63%	0.626	43%	0.431	S	S	*	.	S	Bend	trans	-74	-31.8	-180	-68.6	-178.2	-33.2	0	0	112.6	F22 S25	F22-Q27 HydrophobicContact CB-CB 4.44Å; F22-Q27 PolarHBondContact O-N 3.39Å; S25-Q27 VanDerWaalsContact C-N 3.25Å; S25-Q27 PolarHBondContact O-N 3.12Å; S25-Q27 WeakPolarHBondContact OG-CG 3.44Å
28	I	96.5	Very high	96.8	Very high	32 Å²	32	80.2 Å²	80.2	16%	0.164	42%	0.417	C	S	.	.	S	Bend	trans	-134.3	154.6	177.9	70.5	179.4	0	0	0	111.5	L19 F22 I23 L32 A33	L19-I28 HydrophobicContact CD2-CD1 3.78Å; F22-I28 HydrophobicContact CB-CD1 3.6Å; F22-I28 HydrophobicContact CB-CG1 3.65Å; F22-I28 HydrophobicContact CB-CG2 4.37Å; F22-I28 HydrophobicContact CD2-CD1 4.27Å; F22-I28 HydrophobicContact CG-CD1 4.48Å; F22-I28 PolarHBondContact O-N 3.33Å; I23-I28 HydrophobicContact CG1-CD1 4.28Å; I23-I28 HydrophobicContact CG1-CG1 3.88Å; I28-L32 HydrophobicContact CB-CD2 4.12Å; I28-L32 HydrophobicContact CG2-CD2 4.05Å; I28-A33 HydrophobicContact CD1-CB 4.04Å
29	S	96.7	Very high	96.7	Very high	57 Å²	57	84.4 Å²	84.4	40%	0.399	43%	0.431	S	S	.	.			trans	-81.6	154.7	170	77.5	0	0	0	0	111.7	Q31 L32 A33	S29-Q31 PolarHBondContact O-N 3.4Å; S29-Q31 PolarHBondContact OG-OE1 2.99Å; S29-L32 WeakPolarHBondContact O-CB 3.49Å; S29-L32 PolarHBondContact O-N 3.34Å; S29-L32 PolarHBondContact OG-N 3.18Å; S29-A33 PolarHBondContact O-N 2.97Å; S29-A33 VanDerWaalsContact O-N 3.16Å
30	Q	96.3	Very high	96.7	Very high	152 Å²	152	85.3 Å²	85.3	71%	0.71	43%	0.434	S	S	*	.	H	α-helix	trans	-57.2	-34.2	174.5	-168.2	177	29.8	0	0	112.5	I23 L32 A33 F34	I23-Q30 HydrophobicContact CD1-CB 4.47Å; I23-Q30 HydrophobicContact CD1-CG 4.44Å; Q30-L32 VanDerWaalsContact C-N 3.32Å; Q30-L32 PolarHBondContact O-N 3.01Å; Q30-A33 PolarHBondContact O-N 2.85Å; Q30-F34 PolarHBondContact O-N 3.18Å
31	Q	96.6	Very high	96.7	Very high	144 Å²	144	81.6 Å²	81.6	67%	0.673	41%	0.414	S	S	*	.	H	α-helix	trans	-66.8	-34.7	177.3	-59.8	129.3	-27.3	0	0	111.9	S29 K35	S29-Q31 PolarHBondContact O-N 3.4Å; S29-Q31 PolarHBondContact OG-OE1 2.99Å; Q31-K35 WeakPolarHBondContact O-CG 3.41Å; Q31-K35 PolarHBondContact O-N 3.41Å
32	L	96.9	Very high	96.5	Very high	78 Å²	78	83.6 Å²	83.6	41%	0.408	42%	0.416	S	S	.	.	H	α-helix	trans	-69.5	-44.2	176.3	-177.3	57.4	0	0	0	110.9	I28 S29 Q30 F34 K35 I36	I28-L32 HydrophobicContact CB-CD2 4.12Å; I28-L32 HydrophobicContact CG2-CD2 4.05Å; S29-L32 WeakPolarHBondContact O-CB 3.49Å; S29-L32 PolarHBondContact O-N 3.34Å; S29-L32 PolarHBondContact OG-N 3.18Å; Q30-L32 VanDerWaalsContact C-N 3.32Å; Q30-L32 PolarHBondContact O-N 3.01Å; L32-F34 VanDerWaalsContact C-N 3.31Å; L32-F34 PolarHBondContact O-N 2.98Å; L32-K35 WeakPolarHBondContact O-CB 3.42Å; L32-K35 PolarHBondContact O-N 2.9Å; L32-K35 VanDerWaalsContact O-N 3.1Å; L32-I36 HydrophobicContact CG-CD1 4.28Å; L32-I36 WeakPolarHBondContact O-CG1 3.36Å; L32-I36 PolarHBondContact O-N 3.2Å
33	A	97.1	Very high	96.4	Very high	6 Å²	6	82.3 Å²	82.3	5%	0.05	42%	0.416	C	S	.	.	H	α-helix	trans	-56.5	-43.6	174.5	0	0	0	0	0	112.2	L19 I23 I28 S29 Q30 K35 I36 L37	L19-A33 HydrophobicContact CB-CB 4.16Å; L19-A33 HydrophobicContact CD1-CB 4.32Å; L19-A33 HydrophobicContact CD2-CB 4.26Å; L19-A33 HydrophobicContact CG-CB 4.49Å; I23-A33 HydrophobicContact CD1-CB 3.71Å; I23-A33 HydrophobicContact CG1-CB 4.3Å; I28-A33 HydrophobicContact CD1-CB 4.04Å; S29-A33 PolarHBondContact O-N 2.97Å; S29-A33 VanDerWaalsContact O-N 3.16Å; Q30-A33 PolarHBondContact O-N 2.85Å; A33-K35 VanDerWaalsContact C-N 3.33Å; A33-K35 PolarHBondContact O-N 3Å; A33-I36 WeakPolarHBondContact O-CB 3.32Å; A33-I36 PolarHBondContact O-N 3.36Å; A33-I36 VanDerWaalsContact O-N 3.12Å; A33-L37 PolarHBondContact O-N 3.26Å
34	F	96	Very high	96.3	Very high	121 Å²	121	81.1 Å²	81.1	53%	0.531	41%	0.41	S	S	.	.	H	α-helix	trans	-62.7	-37.6	175.9	-174.6	-97.5	0	0	0	113.1	Q30 L32 I36 L37 T38	Q30-F34 PolarHBondContact O-N 3.18Å; L32-F34 VanDerWaalsContact C-N 3.31Å; L32-F34 PolarHBondContact O-N 2.98Å; F34-I36 VanDerWaalsContact C-N 3.35Å; F34-L37 PolarHBondContact O-N 3.14Å; F34-T38 PolarHBondContact O-N 3.27Å; F34-T38 PolarHBondContact O-OG1 2.96Å
35	K	96.7	Very high	96.2	Very high	147 Å²	147	75 Å²	75	64%	0.639	38%	0.382	S	S	*	.	H	α-helix	trans	-63.5	-40.9	173	-73.8	177	-179.3	177.6	0	111.3	Q31 L32 A33 T38 F39	Q31-K35 WeakPolarHBondContact O-CG 3.41Å; Q31-K35 PolarHBondContact O-N 3.41Å; L32-K35 WeakPolarHBondContact O-CB 3.42Å; L32-K35 PolarHBondContact O-N 2.9Å; L32-K35 VanDerWaalsContact O-N 3.1Å; A33-K35 VanDerWaalsContact C-N 3.33Å; A33-K35 PolarHBondContact O-N 3Å; K35-T38 PolarHBondContact O-N 3.27Å; K35-F39 PolarHBondContact O-N 2.64Å
36	I	97.1	Very high	96	Very high	60 Å²	60	78.5 Å²	78.5	31%	0.308	39%	0.388	S	S	.	.	H	α-helix	trans	-62.8	-46.5	176.4	-65.9	166.9	0	0	0	110.4	L15 L19 L32 A33 F34 T38 F39 Y40	L15-I36 HydrophobicContact CD1-CG2 4.44Å; L19-I36 HydrophobicContact CD1-CB 4.29Å; L19-I36 HydrophobicContact CD1-CG2 4.06Å; L19-I36 HydrophobicContact CD2-CB 4.31Å; L19-I36 HydrophobicContact CD2-CD1 3.67Å; L19-I36 HydrophobicContact CD2-CG2 4.17Å; L32-I36 HydrophobicContact CG-CD1 4.28Å; L32-I36 WeakPolarHBondContact O-CG1 3.36Å; L32-I36 PolarHBondContact O-N 3.2Å; A33-I36 WeakPolarHBondContact O-CB 3.32Å; A33-I36 PolarHBondContact O-N 3.36Å; A33-I36 VanDerWaalsContact O-N 3.12Å; F34-I36 VanDerWaalsContact C-N 3.35Å; I36-T38 VanDerWaalsContact C-N 3.32Å; I36-T38 PolarHBondContact O-N 3.4Å; I36-F39 CarbonylContact O-C 3.58Å; I36-F39 WeakPolarHBondContact O-CA 3.34Å; I36-F39 WeakPolarHBondContact O-CB 3.46Å; I36-F39 PolarHBondContact O-N 3.05Å; I36-F39 VanDerWaalsContact O-N 3.08Å; I36-Y40 PolarHBondContact O-N 3.46Å
37	L	96.6	Very high	95.9	Very high	20 Å²	20	78 Å²	78	11%	0.105	37%	0.372	C	S	.	.	H	α-helix	trans	-61.7	-38.9	176.6	-69.9	175.2	0	0	0	112.5	L15 Q16 L19 A33 F34 F39 Y40 D41	L15-L37 HydrophobicContact CD2-CD2 4.1Å; L15-L37 HydrophobicContact CG-CD2 4.32Å; Q16-L37 HydrophobicContact CG-CD1 4.26Å; Q16-L37 HydrophobicContact CG-CD2 3.69Å; L19-L37 HydrophobicContact CD1-CD1 4.49Å; L19-L37 HydrophobicContact CD1-CD2 3.82Å; L19-L37 HydrophobicContact CD1-CG 3.78Å; A33-L37 PolarHBondContact O-N 3.26Å; F34-L37 PolarHBondContact O-N 3.14Å; L37-F39 VanDerWaalsContact C-N 3.29Å; L37-F39 PolarHBondContact O-N 2.94Å; L37-Y40 WeakPolarHBondContact O-CB 3.45Å; L37-Y40 PolarHBondContact O-N 3.26Å; L37-D41 PolarHBondContact O-N 3.22Å
38	T	96.2	Very high	95.9	Very high	38 Å²	38	74.4 Å²	74.4	23%	0.233	36%	0.357	C	S	.	.	H	α-helix	trans	-63.4	-37.1	174.3	-58.1	0	0	0	0	111.8	F34 K35 I36 R42	F34-T38 PolarHBondContact O-N 3.27Å; F34-T38 PolarHBondContact O-OG1 2.96Å; K35-T38 PolarHBondContact O-N 3.27Å; I36-T38 VanDerWaalsContact C-N 3.32Å; I36-T38 PolarHBondContact O-N 3.4Å; T38-R42 WeakPolarHBondContact O-CG 3.39Å; T38-R42 PolarHBondContact O-N 3.42Å
39	F	96	Very high	95.6	Very high	140 Å²	140	76.5 Å²	76.5	61%	0.614	37%	0.374	S	S	*	.	H	α-helix	trans	-69.9	-39.8	175.2	-174.9	-98	0	0	0	112	K35 I36 L37 R42 T43	K35-F39 PolarHBondContact O-N 2.64Å; I36-F39 CarbonylContact O-C 3.58Å; I36-F39 WeakPolarHBondContact O-CA 3.34Å; I36-F39 WeakPolarHBondContact O-CB 3.46Å; I36-F39 PolarHBondContact O-N 3.05Å; I36-F39 VanDerWaalsContact O-N 3.08Å; L37-F39 VanDerWaalsContact C-N 3.29Å; L37-F39 PolarHBondContact O-N 2.94Å; F39-R42 PolarHBondContact O-N 3.35Å; F39-T43 WeakPolarHBondContact CE1-OG1 3.39Å; F39-T43 WeakPolarHBondContact O-CB 3.38Å; F39-T43 PolarHBondContact O-N 3.04Å; F39-T43 PolarHBondContact O-OG1 3.24Å
40	Y	97.3	Very high	95.4	Very high	25 Å²	25	77.1 Å²	77.1	10%	0.098	38%	0.376	C	S	.	.	H	α-helix	trans	-56.1	-50.7	172.1	168.6	-96.3	0	0	0	111.1	Y6 R7 T9 L11 G12 L15 I36 L37 R42 T43 I44	Y6-Y40 PolarHBondContact O-OH 3.37Å; R7-Y40 HydrophobicContact CG-CD1 4.29Å; R7-Y40 HydrophobicContact CG-CE1 4.19Å; T9-Y40 PolarHBondContact OG1-OH 2.9Å; L11-Y40 HydrophobicContact CD2-CE2 4.01Å; L11-Y40 HydrophobicContact CG-CE2 4.04Å; G12-Y40 PolarHBondContact N-OH 2.98Å; L15-Y40 HydrophobicContact CD2-CD1 4.39Å; L15-Y40 HydrophobicContact CD2-CD2 3.59Å; L15-Y40 HydrophobicContact CD2-CE2 4.31Å; L15-Y40 HydrophobicContact CD2-CG 3.64Å; I36-Y40 PolarHBondContact O-N 3.46Å; L37-Y40 WeakPolarHBondContact O-CB 3.45Å; L37-Y40 PolarHBondContact O-N 3.26Å; Y40-R42 VanDerWaalsContact C-N 3.3Å; Y40-R42 PolarHBondContact O-N 3.02Å; Y40-T43 PolarHBondContact O-N 2.96Å; Y40-I44 HydrophobicContact CD1-CG2 4.47Å; Y40-I44 HydrophobicContact CE1-CG2 4.13Å; Y40-I44 HydrophobicContact CE2-CB 4.42Å; Y40-I44 WeakPolarHBondContact O-CG2 3.35Å; Y40-I44 PolarHBondContact O-N 3.49Å
41	D	96.2	Very high	95.3	Very high	5 Å²	5	77.5 Å²	77.5	3%	0.027	38%	0.375	C	S	.	.	H	α-helix	trans	-54.7	-46.5	180	-59.6	-33.1	0	0	0	111.3	A2 R7 L37 T43 I44 N45	A2-D41 HydrophobicContact CB-CB 3.9Å; R7-D41 WeakPolarHBondContact CG-OD1 3.42Å; R7-D41 IonicContact CZ-OD1 2.87Å; R7-D41 IonicContact CZ-OD2 3.3Å; R7-D41 IonicContact NE-OD1 2.76Å; R7-D41 PolarHBondContact NE-OD1 3.11Å; R7-D41 IonicContact NE-OD2 3.75Å; R7-D41 PolarHBondContact NE-OD2 2.67Å; R7-D41 IonicContact NH2-OD1 2.87Å; R7-D41 IonicContact NH2-OD2 3.74Å; R7-D41 PolarHBondContact NH2-OD2 3.3Å; L37-D41 PolarHBondContact O-N 3.22Å; D41-T43 VanDerWaalsContact C-N 3.35Å; D41-T43 PolarHBondContact O-N 3.35Å; D41-I44 WeakPolarHBondContact O-CG2 3.44Å; D41-N45 WeakPolarHBondContact O-CB 3.32Å; D41-N45 PolarHBondContact O-N 3.45Å; D41-N45 PolarHBondContact O-ND2 3.29Å
42	R	94.5	Very high	95.2	Very high	165 Å²	165	74 Å²	74	62%	0.623	36%	0.363	S	S	*	.	H	α-helix	trans	-64.1	-41.9	178.7	-67.4	175.6	-173	176.2	2	111.8	A2 T38 F39 Y40 K46	A2-R42 HydrophobicContact CB-CG 4.14Å; T38-R42 WeakPolarHBondContact O-CG 3.39Å; T38-R42 PolarHBondContact O-N 3.42Å; F39-R42 PolarHBondContact O-N 3.35Å; Y40-R42 VanDerWaalsContact C-N 3.3Å; Y40-R42 PolarHBondContact O-N 3.02Å; R42-K46 WeakPolarHBondContact O-CB 3.28Å; R42-K46 PolarHBondContact O-N 2.87Å; R42-K46 VanDerWaalsContact O-N 3.16Å
43	T	96.1	Very high	94.9	Very high	56 Å²	56	79.6 Å²	79.6	34%	0.344	38%	0.379	S	S	.	.	H	α-helix	trans	-69.4	-47.8	-175.6	-58.5	0	0	0	0	111.3	F39 Y40 D41 N45 K46 V47	F39-T43 WeakPolarHBondContact CE1-OG1 3.39Å; F39-T43 WeakPolarHBondContact O-CB 3.38Å; F39-T43 PolarHBondContact O-N 3.04Å; F39-T43 PolarHBondContact O-OG1 3.24Å; Y40-T43 PolarHBondContact O-N 2.96Å; D41-T43 VanDerWaalsContact C-N 3.35Å; D41-T43 PolarHBondContact O-N 3.35Å; T43-N45 PolarHBondContact O-N 3.39Å; T43-K46 PolarHBondContact O-N 2.87Å; T43-V47 HydrophobicContact CG2-CG2 4.17Å; T43-V47 WeakPolarHBondContact O-CB 3.44Å; T43-V47 VanDerWaalsContact O-CG2 3.32Å; T43-V47 WeakPolarHBondContact O-CG2 3.37Å; T43-V47 PolarHBondContact O-N 2.84Å
44	I	95.5	Very high	94.6	Very high	26 Å²	26	83.2 Å²	83.2	13%	0.133	40%	0.404	C	S	.	.	H	α-helix	trans	-65.4	-42.5	-177.8	-168	61.1	0	0	0	111.5	Y6 L11 Y40 D41 K46 V47 L48	Y6-I44 HydrophobicContact CD2-CG1 4.41Å; Y6-I44 HydrophobicContact CD2-CG2 3.75Å; Y6-I44 HydrophobicContact CG-CG1 4.15Å; Y6-I44 HydrophobicContact CG-CG2 4.05Å; L11-I44 HydrophobicContact CD2-CD1 4.38Å; Y40-I44 HydrophobicContact CD1-CG2 4.47Å; Y40-I44 HydrophobicContact CE1-CG2 4.13Å; Y40-I44 HydrophobicContact CE2-CB 4.42Å; Y40-I44 WeakPolarHBondContact O-CG2 3.35Å; Y40-I44 PolarHBondContact O-N 3.49Å; D41-I44 WeakPolarHBondContact O-CG2 3.44Å; I44-K46 VanDerWaalsContact C-N 3.32Å; I44-K46 PolarHBondContact O-N 3.48Å; I44-V47 PolarHBondContact O-N 3.04Å; I44-L48 HydrophobicContact CD1-CD1 4.21Å; I44-L48 HydrophobicContact CD1-CG 4.1Å; I44-L48 HydrophobicContact CG1-CD1 3.94Å; I44-L48 HydrophobicContact CG1-CG 4.27Å; I44-L48 WeakPolarHBondContact O-CB 3.43Å; I44-L48 VanDerWaalsContact O-CG 3.28Å; I44-L48 WeakPolarHBondContact O-CG 3.38Å; I44-L48 PolarHBondContact O-N 3.16Å
45	N	93.4	Very high	94.4	Very high	33 Å²	33	86.1 Å²	86.1	18%	0.176	42%	0.416	C	S	.	.	H	α-helix	trans	-61.1	-40.5	175.6	-80.8	-93.3	0	0	0	111.7	Y3 D41 T43 S49	Y3-N45 WeakPolarHBondContact CD2-OD1 3.31Å; Y3-N45 PolarHBondContact N-ND2 2.73Å; Y3-N45 PolarHBondContact N-OD1 3.28Å; Y3-N45 PolarHBondContact O-ND2 2.99Å; D41-N45 WeakPolarHBondContact O-CB 3.32Å; D41-N45 PolarHBondContact O-N 3.45Å; D41-N45 PolarHBondContact O-ND2 3.29Å; T43-N45 PolarHBondContact O-N 3.39Å; N45-S49 WeakPolarHBondContact O-CB 3.43Å; N45-S49 PolarHBondContact O-N 3.46Å; N45-S49 PolarHBondContact O-OG 2.88Å
46	K	92.8	Very high	94.3	Very high	147 Å²	147	82.9 Å²	82.9	64%	0.639	41%	0.409	S	S	*	.	H	α-helix	trans	-69.1	-45.4	176.7	-177.6	-179.6	178.5	-178.8	0	112.1	R42 T43 I44 S49 T50	R42-K46 WeakPolarHBondContact O-CB 3.28Å; R42-K46 PolarHBondContact O-N 2.87Å; R42-K46 VanDerWaalsContact O-N 3.16Å; T43-K46 PolarHBondContact O-N 2.87Å; I44-K46 VanDerWaalsContact C-N 3.32Å; I44-K46 PolarHBondContact O-N 3.48Å; K46-S49 PolarHBondContact O-N 2.87Å; K46-S49 PolarHBondContact O-OG 3.42Å; K46-T50 HydrophobicContact CG-CG2 4.47Å; K46-T50 WeakPolarHBondContact O-CB 3.37Å; K46-T50 WeakPolarHBondContact O-CG2 3.32Å; K46-T50 PolarHBondContact O-N 2.88Å; K46-T50 VanDerWaalsContact O-N 3.1Å; K46-T50 PolarHBondContact O-OG1 3.35Å
47	V	94.9	Very high	94.2	Very high	52 Å²	52	86.7 Å²	86.7	32%	0.315	43%	0.425	S	S	.	.	H	α-helix	trans	-66.7	-44.6	-176.9	167.8	0	0	0	0	111.1	T43 I44 S49 T50 K51	T43-V47 HydrophobicContact CG2-CG2 4.17Å; T43-V47 WeakPolarHBondContact O-CB 3.44Å; T43-V47 VanDerWaalsContact O-CG2 3.32Å; T43-V47 WeakPolarHBondContact O-CG2 3.37Å; T43-V47 PolarHBondContact O-N 2.84Å; I44-V47 PolarHBondContact O-N 3.04Å; V47-S49 VanDerWaalsContact C-N 3.34Å; V47-S49 PolarHBondContact O-N 3.47Å; V47-T50 PolarHBondContact O-N 3.46Å; V47-K51 HydrophobicContact CG1-CB 4.38Å; V47-K51 HydrophobicContact CG1-CD 4.17Å; V47-K51 HydrophobicContact CG1-CG 4.41Å; V47-K51 WeakPolarHBondContact O-CB 3.5Å; V47-K51 PolarHBondContact O-N 2.66Å
48	L	93.7	Very high	94.1	Very high	58 Å²	58	90.2 Å²	90.2	30%	0.304	44%	0.44	S	S	.	.	H	α-helix	trans	-61.1	-41.6	177.8	-69.9	176	0	0	0	112	Y6 I44 V52	Y6-L48 HydrophobicContact CD1-CD1 3.98Å; Y6-L48 HydrophobicContact CE1-CD1 3.47Å; Y6-L48 VanDerWaalsContact CE1-CD1 3.47Å; Y6-L48 HydrophobicContact CE2-CD1 4.08Å; Y6-L48 HydrophobicContact CG-CD1 4.48Å; I44-L48 HydrophobicContact CD1-CD1 4.21Å; I44-L48 HydrophobicContact CD1-CG 4.1Å; I44-L48 HydrophobicContact CG1-CD1 3.94Å; I44-L48 HydrophobicContact CG1-CG 4.27Å; I44-L48 WeakPolarHBondContact O-CB 3.43Å; I44-L48 VanDerWaalsContact O-CG 3.28Å; I44-L48 WeakPolarHBondContact O-CG 3.38Å; I44-L48 PolarHBondContact O-N 3.16Å; L48-V52 HydrophobicContact CD2-CG2 3.91Å; L48-V52 WeakPolarHBondContact O-CB 3.38Å
49	S	90.5	Very high	94.1	Very high	76 Å²	76	96.4 Å²	96.4	53%	0.531	46%	0.459	S	S	.	.	H	α-helix	trans	-73.7	-28.1	-179.8	54.9	0	0	0	0	114.5	N45 K46 V47	N45-S49 WeakPolarHBondContact O-CB 3.43Å; N45-S49 PolarHBondContact O-N 3.46Å; N45-S49 PolarHBondContact O-OG 2.88Å; K46-S49 PolarHBondContact O-N 2.87Å; K46-S49 PolarHBondContact O-OG 3.42Å; V47-S49 VanDerWaalsContact C-N 3.34Å; V47-S49 PolarHBondContact O-N 3.47Å
50	T	92.5	Very high	94.2	Very high	70 Å²	70	91.7 Å²	91.7	43%	0.429	45%	0.446	S	S	.	.	H	α-helix	trans	-102.3	-35.8	-172.6	56.1	0	0	0	0	113.9	K46 V47 R53	K46-T50 HydrophobicContact CG-CG2 4.47Å; K46-T50 WeakPolarHBondContact O-CB 3.37Å; K46-T50 WeakPolarHBondContact O-CG2 3.32Å; K46-T50 PolarHBondContact O-N 2.88Å; K46-T50 VanDerWaalsContact O-N 3.1Å; K46-T50 PolarHBondContact O-OG1 3.35Å; V47-T50 PolarHBondContact O-N 3.46Å; T50-R53 PolarHBondContact O-NH2 2.8Å
51	K	95	Very high	94.1	Very high	161 Å²	161	93.6 Å²	93.6	70%	0.7	47%	0.473	S	S	*	.	H	α-helix	trans	-101.7	-28.6	-172.3	-60.2	-163.3	178.9	-178.4	0	113.9	V47	V47-K51 HydrophobicContact CG1-CB 4.38Å; V47-K51 HydrophobicContact CG1-CD 4.17Å; V47-K51 HydrophobicContact CG1-CG 4.41Å; V47-K51 WeakPolarHBondContact O-CB 3.5Å; V47-K51 PolarHBondContact O-N 2.66Å
52	V	93.6	Very high	94.2	Very high	70 Å²	70	98.7 Å²	98.7	42%	0.424	50%	0.495	S	S	.	.			trans	-86.6	123.9	-178.3	-176.2	0	0	0	0	109.8	L48	L48-V52 HydrophobicContact CD2-CG2 3.91Å; L48-V52 WeakPolarHBondContact O-CB 3.38Å
53	R	92	Very high	94.3	Very high	195 Å²	195	94.9 Å²	94.9	74%	0.736	49%	0.487	S	S	*	.			trans	-123.8	-8.3	179.8	-59.3	-62.3	-178.3	-175.8	-0.6	113.5	T50	T50-R53 PolarHBondContact O-NH2 2.8Å
54	S	90.4	Very high	94.3	Very high	82 Å²	82	98.5 Å²	98.5	57%	0.573	49%	0.494	S	S	*	.			trans	-60.8	146.5	178.4	48.6	0	0	0	0	110.8
55	K	91	Very high	94.5	Very high	182 Å²	182	100.8 Å²	100.8	79%	0.791	51%	0.509	S	S	*	.			trans	-122.2	124.7	177	-68	-177.1	179.9	179.2	0	108
56	V	94.3	Very high	94.7	Very high	80 Å²	80	106.7 Å²	106.7	49%	0.485	53%	0.53	S	S	.	.			trans	-111	133.1	176.1	179.5	0	0	0	0	108	F82	V56-F82 HydrophobicContact CG1-CB 4.26Å; V56-F82 HydrophobicContact CG1-CD1 4.08Å
57	Q	95.1	Very high	94.9	Very high	140 Å²	140	105.7 Å²	105.7	65%	0.654	52%	0.522	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.9	149.5	169.2	-62.9	-176.2	4.5	0	0	108.9	F82 R83	Q57-F82 CarbonylContact O-C 3.5Å; Q57-F82 WeakPolarHBondContact O-CA 3.24Å; Q57-R83 HydrophobicContact CB-CB 4.46Å; Q57-R83 PolarHBondContact N-O 2.87Å; Q57-R83 PolarHBondContact O-N 2.81Å
58	F	96.1	Very high	95	Very high	94 Å²	94	108.2 Å²	108.2	41%	0.412	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	154.1	171.5	72.8	-85.7	0	0	0	111.6	M77 V80 E81 F82 F96	F58-M77 HydrophobicContact CD2-SD 4.46Å; F58-M77 HydrophobicContact CE2-CE 4.08Å; F58-M77 HydrophobicContact CE2-SD 3.76Å; F58-M77 HydrophobicContact CZ-CE 4.5Å; F58-V80 HydrophobicContact CB-CG1 4.34Å; F58-V80 HydrophobicContact CD2-CG1 4.29Å; F58-E81 CarbonylContact C-O 3.56Å; F58-E81 WeakPolarHBondContact CA-O 3.41Å; F58-F82 HydrophobicContact CB-CD1 3.62Å; F58-F82 HydrophobicContact CB-CE1 3.88Å; F58-F82 HydrophobicContact CB-CG 4.39Å; F58-F82 HydrophobicContact CG-CD1 4.49Å; F58-F82 HydrophobicContact CG-CE1 4.32Å; F58-F96 HydrophobicContact CD2-CZ 4.14Å; F58-F96 HydrophobicContact CE2-CZ 4.13Å; F58-F96 HydrophobicContact CG-CZ 4.48Å; F58-F96 HydrophobicContact CZ-CE1 4.46Å; F58-F96 HydrophobicContact CZ-CZ 4.45Å
59	R	96.2	Very high	94.9	Very high	168 Å²	168	108.4 Å²	108.4	63%	0.634	54%	0.535	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.1	148.8	169	-65.4	-177.9	178	-172.9	-1.7	108.1	V80 E81	R59-V80 CarbonylContact O-C 3.59Å; R59-V80 WeakPolarHBondContact O-CA 3.49Å; R59-E81 PolarHBondContact N-O 2.79Å; R59-E81 PolarHBondContact O-N 2.76Å
60	A	96.5	Very high	94.9	Very high	41 Å²	41	111.7 Å²	111.7	34%	0.339	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	138.7	175.7	0	0	0	0	0	109.4	K62 M77 H79 V80	A60-K62 VanDerWaalsContact C-N 3.27Å; A60-M77 HydrophobicContact CB-CB 3.83Å; A60-M77 HydrophobicContact CB-CG 4.21Å; A60-M77 HydrophobicContact CB-SD 3.77Å; A60-H79 WeakPolarHBondContact CA-O 3.37Å; A60-V80 HydrophobicContact CB-CG2 4.09Å
61	G	97	Very high	94.8	Very high	64 Å²	64	113.4 Å²	113.4	66%	0.66	55%	0.553	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-67.7	-31	172.8	0	0	0	0	0	112.1	E78 H79	G61-E78 PolarHBondContact N-O 3.11Å; G61-H79 PolarHBondContact N-O 2.87Å
62	K	96.4	Very high	94.7	Very high	112 Å²	112	107.5 Å²	107.5	49%	0.487	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	135.1	-178.1	179.3	176	166.6	-148.9	0	112.6	A60 M77 E78	A60-K62 VanDerWaalsContact C-N 3.27Å; K62-M77 CarbonylContact O-C 3.49Å; K62-M77 VanDerWaalsContact O-CA 3.3Å; K62-M77 WeakPolarHBondContact O-CA 2.98Å; K62-E78 HydrophobicContact CB-CB 4.31Å; K62-E78 WeakPolarHBondContact CD-OE2 3.43Å; K62-E78 WeakPolarHBondContact CE-OE2 3.49Å; K62-E78 PolarHBondContact N-O 2.83Å; K62-E78 VanDerWaalsContact N-O 3.11Å; K62-E78 IonicContact NZ-OE2 3.59Å; K62-E78 PolarHBondContact NZ-OE2 2.52Å; K62-E78 PolarHBondContact O-N 3.19Å
63	L	97.7	Very high	94.8	Very high	86 Å²	86	109.2 Å²	109.2	45%	0.45	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	113.1	164.1	177.3	64	0	0	0	108.5	Y66 F75 M77	L63-Y66 HydrophobicContact CD2-CD1 3.91Å; L63-Y66 HydrophobicContact CD2-CG 4.49Å; L63-F75 HydrophobicContact CD1-CB 4.06Å; L63-F75 HydrophobicContact CD1-CD1 4.12Å; L63-M77 HydrophobicContact CD1-CE 4.16Å; L63-M77 HydrophobicContact CD1-CG 3.78Å
64	R	97	Very high	95	Very high	132 Å²	132	100.5 Å²	100.5	50%	0.498	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	-44.5	-177.2	173.3	159.3	176.3	177.3	4.1	112.9	V76 E78	R64-V76 WeakPolarHBondContact CA-O 3.44Å; R64-V76 HydrophobicContact CB-CG1 4.4Å; R64-V76 WeakPolarHBondContact CB-O 3.48Å; R64-V76 PolarHBondContact N-O 3.14Å; R64-E78 HydrophobicContact CB-CG 4.34Å; R64-E78 WeakPolarHBondContact CD-OE1 3.3Å; R64-E78 IonicContact CZ-OE1 2.74Å; R64-E78 IonicContact NE-OE1 3.14Å; R64-E78 IonicContact NH1-OE1 3.7Å; R64-E78 PolarHBondContact NH1-OE1 2.8Å
65	T	97.9	Very high	95.4	Very high	74 Å²	74	99.2 Å²	99.2	45%	0.454	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	152.3	175.9	-177.1	0	0	0	0	110.2	F75 V76	T65-F75 WeakPolarHBondContact O-CA 3.38Å; T65-V76 HydrophobicContact CG2-CB 3.68Å; T65-V76 HydrophobicContact CG2-CG2 3.68Å; T65-V76 PolarHBondContact N-O 3.46Å; T65-V76 PolarHBondContact O-N 3.44Å
66	Y	97.5	Very high	95.7	Very high	157 Å²	157	91.3 Å²	91.3	62%	0.616	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.6	149	173	63.7	-87.8	0	0	0	109.4	L63 W73 T74	L63-Y66 HydrophobicContact CD2-CD1 3.91Å; L63-Y66 HydrophobicContact CD2-CG 4.49Å; Y66-W73 HydrophobicContact CD2-CZ3 4.28Å; Y66-T74 CarbonylContact C-O 3.56Å; Y66-T74 VanDerWaalsContact CA-O 3.26Å; Y66-T74 WeakPolarHBondContact CA-O 3.34Å
67	R	97.5	Very high	95.8	Very high	125 Å²	125	88.7 Å²	88.7	47%	0.472	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	139.7	176.6	179.2	178.2	48.2	60.4	8.2	109.5	W73 T74	R67-W73 CarbonylContact O-C 3.58Å; R67-W73 WeakPolarHBondContact O-CA 3.33Å; R67-T74 PolarHBondContact N-O 2.83Å; R67-T74 VanDerWaalsContact NH2-CB 3.26Å; R67-T74 PolarHBondContact NH2-OG1 2.89Å; R67-T74 PolarHBondContact O-N 3.1Å
68	F	96.5	Very high	96	Very high	105 Å²	105	83.3 Å²	83.3	46%	0.461	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	123	168.4	-177.7	-114.4	0	0	0	109.2	V72 W73	F68-V72 WeakPolarHBondContact CA-O 3.18Å; F68-W73 HydrophobicContact CB-CD2 4Å; F68-W73 HydrophobicContact CB-CE3 3.84Å; F68-W73 HydrophobicContact CB-CH2 3.74Å; F68-W73 HydrophobicContact CB-CZ2 3.89Å; F68-W73 HydrophobicContact CB-CZ3 3.72Å; F68-W73 AromaticContact CD2-CD1 3.61Å; F68-W73 AromaticContact CD2-CD2 3.62Å; F68-W73 HydrophobicContact CD2-CD2 3.62Å; F68-W73 AromaticContact CD2-CE2 3.36Å; F68-W73 HydrophobicContact CD2-CE3 4.34Å; F68-W73 AromaticContact CD2-CG 3.79Å; F68-W73 HydrophobicContact CD2-CG 3.79Å; F68-W73 AromaticContact CD2-CZ2 3.88Å; F68-W73 HydrophobicContact CD2-CZ2 3.88Å; F68-W73 AromaticContact CD2-NE1 3.35Å; F68-W73 VanDerWaalsContact CD2-NE1 3.35Å; F68-W73 AromaticContact CE2-CD1 3.8Å; F68-W73 HydrophobicContact CE2-CD2 4.5Å; F68-W73 AromaticContact CE2-CE2 3.97Å; F68-W73 HydrophobicContact CE2-CG 4.4Å; F68-W73 AromaticContact CE2-NE1 3.5Å; F68-W73 HydrophobicContact CG-CD2 4.16Å; F68-W73 AromaticContact CG-CE2 3.82Å; F68-W73 HydrophobicContact CG-CE3 4.49Å; F68-W73 HydrophobicContact CG-CH2 4.23Å; F68-W73 AromaticContact CG-CZ2 3.86Å; F68-W73 HydrophobicContact CG-CZ2 3.86Å
69	C	92.3	Very high	96	Very high	62 Å²	62	84.9 Å²	84.9	42%	0.419	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	138.3	178.5	-174.4	0	0	0	0	108.1	N71 V72	C69-N71 VanDerWaalsContact C-N 3.29Å; C69-N71 PolarHBondContact O-N 3.48Å; C69-V72 PolarHBondContact N-O 2.86Å; C69-V72 WeakPolarHBondContact O-CB 3.39Å; C69-V72 PolarHBondContact O-N 3.34Å
70	D	91.1	Very high	96.1	Very high	145 Å²	145	76.9 Å²	76.9	78%	0.775	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	40.8	179.7	-58.3	-25.6	0	0	0	115	V72	D70-V72 PolarHBondContact O-N 2.98Å
71	N	89.6	Confident	96.1	Very high	107 Å²	107	76.9 Å²	76.9	57%	0.572	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	22.3	-175.7	-57.5	-50.8	0	0	0	114.6	C69	C69-N71 VanDerWaalsContact C-N 3.29Å; C69-N71 PolarHBondContact O-N 3.48Å
72	V	92.9	Very high	96.1	Very high	37 Å²	37	75.8 Å²	75.8	22%	0.224	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	121.2	174.5	-174.8	0	0	0	0	109.8	F68 C69 D70 V97 A98	F68-V72 WeakPolarHBondContact CA-O 3.18Å; C69-V72 PolarHBondContact N-O 2.86Å; C69-V72 WeakPolarHBondContact O-CB 3.39Å; C69-V72 PolarHBondContact O-N 3.34Å; D70-V72 PolarHBondContact O-N 2.98Å; V72-V97 HydrophobicContact CG1-CG1 3.68Å; V72-A98 CarbonylContact C-O 3.57Å; V72-A98 WeakPolarHBondContact CA-O 3.14Å
73	W	96.1	Very high	96	Very high	106 Å²	106	75.5 Å²	75.5	40%	0.402	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	137.8	168.1	-78.3	99.8	0	0	0	110.4	Y66 R67 F68 F75 V97 A98	Y66-W73 HydrophobicContact CD2-CZ3 4.28Å; R67-W73 CarbonylContact O-C 3.58Å; R67-W73 WeakPolarHBondContact O-CA 3.33Å; F68-W73 HydrophobicContact CB-CD2 4Å; F68-W73 HydrophobicContact CB-CE3 3.84Å; F68-W73 HydrophobicContact CB-CH2 3.74Å; F68-W73 HydrophobicContact CB-CZ2 3.89Å; F68-W73 HydrophobicContact CB-CZ3 3.72Å; F68-W73 AromaticContact CD2-CD1 3.61Å; F68-W73 AromaticContact CD2-CD2 3.62Å; F68-W73 HydrophobicContact CD2-CD2 3.62Å; F68-W73 AromaticContact CD2-CE2 3.36Å; F68-W73 HydrophobicContact CD2-CE3 4.34Å; F68-W73 AromaticContact CD2-CG 3.79Å; F68-W73 HydrophobicContact CD2-CG 3.79Å; F68-W73 AromaticContact CD2-CZ2 3.88Å; F68-W73 HydrophobicContact CD2-CZ2 3.88Å; F68-W73 AromaticContact CD2-NE1 3.35Å; F68-W73 VanDerWaalsContact CD2-NE1 3.35Å; F68-W73 AromaticContact CE2-CD1 3.8Å; F68-W73 HydrophobicContact CE2-CD2 4.5Å; F68-W73 AromaticContact CE2-CE2 3.97Å; F68-W73 HydrophobicContact CE2-CG 4.4Å; F68-W73 AromaticContact CE2-NE1 3.5Å; F68-W73 HydrophobicContact CG-CD2 4.16Å; F68-W73 AromaticContact CG-CE2 3.82Å; F68-W73 HydrophobicContact CG-CE3 4.49Å; F68-W73 HydrophobicContact CG-CH2 4.23Å; F68-W73 AromaticContact CG-CZ2 3.86Å; F68-W73 HydrophobicContact CG-CZ2 3.86Å; W73-F75 HydrophobicContact CB-CD2 4.44Å; W73-F75 HydrophobicContact CB-CE2 3.6Å; W73-F75 HydrophobicContact CB-CZ 3.88Å; W73-F75 HydrophobicContact CD2-CE1 4.48Å; W73-F75 HydrophobicContact CD2-CE2 4.42Å; W73-F75 AromaticContact CD2-CZ 3.77Å; W73-F75 HydrophobicContact CD2-CZ 3.77Å; W73-F75 AromaticContact CE3-CE1 3.7Å; W73-F75 HydrophobicContact CE3-CE1 3.7Å; W73-F75 HydrophobicContact CE3-CE2 4.32Å; W73-F75 AromaticContact CE3-CZ 3.44Å; W73-F75 HydrophobicContact CE3-CZ 3.44Å; W73-F75 VanDerWaalsContact CE3-CZ 3.44Å; W73-F75 HydrophobicContact CG-CE2 4.16Å; W73-F75 AromaticContact CG-CZ 3.98Å; W73-F75 HydrophobicContact CG-CZ 3.98Å; W73-F75 HydrophobicContact CZ3-CE1 4.16Å; W73-F75 HydrophobicContact CZ3-CZ 4.24Å; W73-V97 WeakPolarHBondContact O-CA 3.46Å; W73-A98 HydrophobicContact CB-CB 4.35Å; W73-A98 PolarHBondContact N-O 2.69Å; W73-A98 PolarHBondContact O-N 2.74Å
74	T	96.7	Very high	95.7	Very high	12 Å²	12	74.7 Å²	74.7	7%	0.074	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	127	168.9	-57.4	0	0	0	0	109.2	Y66 R67 K95 F96 V97	Y66-T74 CarbonylContact C-O 3.56Å; Y66-T74 VanDerWaalsContact CA-O 3.26Å; Y66-T74 WeakPolarHBondContact CA-O 3.34Å; R67-T74 PolarHBondContact N-O 2.83Å; R67-T74 VanDerWaalsContact NH2-CB 3.26Å; R67-T74 PolarHBondContact NH2-OG1 2.89Å; R67-T74 PolarHBondContact O-N 3.1Å; T74-K95 HydrophobicContact CG2-CG 4.3Å; T74-F96 CarbonylContact C-O 3.6Å; T74-F96 VanDerWaalsContact CA-O 3.24Å; T74-F96 WeakPolarHBondContact CA-O 3.28Å; T74-V97 HydrophobicContact CG2-CG2 4.33Å
75	F	97.6	Very high	95.2	Very high	54 Å²	54	74.6 Å²	74.6	24%	0.237	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	142.9	175.3	-50.7	-84.4	0	0	0	109.4	L63 T65 W73 M77 K95 F96	L63-F75 HydrophobicContact CD1-CB 4.06Å; L63-F75 HydrophobicContact CD1-CD1 4.12Å; T65-F75 WeakPolarHBondContact O-CA 3.38Å; W73-F75 HydrophobicContact CB-CD2 4.44Å; W73-F75 HydrophobicContact CB-CE2 3.6Å; W73-F75 HydrophobicContact CB-CZ 3.88Å; W73-F75 HydrophobicContact CD2-CE1 4.48Å; W73-F75 HydrophobicContact CD2-CE2 4.42Å; W73-F75 AromaticContact CD2-CZ 3.77Å; W73-F75 HydrophobicContact CD2-CZ 3.77Å; W73-F75 AromaticContact CE3-CE1 3.7Å; W73-F75 HydrophobicContact CE3-CE1 3.7Å; W73-F75 HydrophobicContact CE3-CE2 4.32Å; W73-F75 AromaticContact CE3-CZ 3.44Å; W73-F75 HydrophobicContact CE3-CZ 3.44Å; W73-F75 VanDerWaalsContact CE3-CZ 3.44Å; W73-F75 HydrophobicContact CG-CE2 4.16Å; W73-F75 AromaticContact CG-CZ 3.98Å; W73-F75 HydrophobicContact CG-CZ 3.98Å; W73-F75 HydrophobicContact CZ3-CE1 4.16Å; W73-F75 HydrophobicContact CZ3-CZ 4.24Å; F75-M77 HydrophobicContact CB-CE 3.84Å; F75-M77 HydrophobicContact CB-CG 4.49Å; F75-M77 HydrophobicContact CD1-CE 4.48Å; F75-M77 HydrophobicContact CG-CE 4.1Å; F75-K95 CarbonylContact O-C 3.6Å; F75-K95 WeakPolarHBondContact O-CA 3.49Å; F75-F96 HydrophobicContact CB-CB 4.2Å; F75-F96 HydrophobicContact CB-CD2 4.46Å; F75-F96 HydrophobicContact CD2-CB 4.14Å; F75-F96 PolarHBondContact N-O 3.34Å; F75-F96 PolarHBondContact O-N 2.87Å
76	V	97.6	Very high	94.6	Very high	17 Å²	17	80 Å²	80	10%	0.103	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	118.5	165.6	-179.3	0	0	0	0	107	R64 T65 R93 V94 K95	R64-V76 WeakPolarHBondContact CA-O 3.44Å; R64-V76 HydrophobicContact CB-CG1 4.4Å; R64-V76 WeakPolarHBondContact CB-O 3.48Å; R64-V76 PolarHBondContact N-O 3.14Å; T65-V76 HydrophobicContact CG2-CB 3.68Å; T65-V76 HydrophobicContact CG2-CG2 3.68Å; T65-V76 PolarHBondContact N-O 3.46Å; T65-V76 PolarHBondContact O-N 3.44Å; V76-R93 HydrophobicContact CG1-CG 4Å; V76-R93 VanDerWaalsContact CG1-NE 3.33Å; V76-V94 WeakPolarHBondContact CA-O 3.41Å; V76-K95 HydrophobicContact CG2-CG 4.37Å
77	M	97.6	Very high	94.3	Very high	25 Å²	25	78.8 Å²	78.8	12%	0.123	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	150.6	-177.6	-60.7	-177.1	-170.4	0	0	110	F58 A60 K62 L63 F75 V80 R93 V94 F96	F58-M77 HydrophobicContact CD2-SD 4.46Å; F58-M77 HydrophobicContact CE2-CE 4.08Å; F58-M77 HydrophobicContact CE2-SD 3.76Å; F58-M77 HydrophobicContact CZ-CE 4.5Å; A60-M77 HydrophobicContact CB-CB 3.83Å; A60-M77 HydrophobicContact CB-CG 4.21Å; A60-M77 HydrophobicContact CB-SD 3.77Å; K62-M77 CarbonylContact O-C 3.49Å; K62-M77 VanDerWaalsContact O-CA 3.3Å; K62-M77 WeakPolarHBondContact O-CA 2.98Å; L63-M77 HydrophobicContact CD1-CE 4.16Å; L63-M77 HydrophobicContact CD1-CG 3.78Å; F75-M77 HydrophobicContact CB-CE 3.84Å; F75-M77 HydrophobicContact CB-CG 4.49Å; F75-M77 HydrophobicContact CD1-CE 4.48Å; F75-M77 HydrophobicContact CG-CE 4.1Å; M77-V80 HydrophobicContact CB-CG2 3.69Å; M77-R93 CarbonylContact O-C 3.52Å; M77-R93 VanDerWaalsContact O-CA 3.31Å; M77-R93 WeakPolarHBondContact O-CA 3.47Å; M77-V94 PolarHBondContact N-O 2.83Å; M77-V94 PolarHBondContact O-N 3.19Å; M77-F96 HydrophobicContact CB-CE2 4.29Å; M77-F96 HydrophobicContact CE-CD2 4.26Å; M77-F96 HydrophobicContact CE-CE2 4.41Å; M77-F96 HydrophobicContact CG-CD2 4.28Å; M77-F96 HydrophobicContact CG-CE2 4.17Å; M77-F96 HydrophobicContact SD-CD2 4.08Å; M77-F96 HydrophobicContact SD-CE2 3.72Å
78	E	97.8	Very high	94.2	Very high	27 Å²	27	76.4 Å²	76.4	13%	0.126	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	148.7	178.1	-63.6	176.9	159.1	0	0	109.8	G61 K62 R64 E92 R93	G61-E78 PolarHBondContact N-O 3.11Å; K62-E78 HydrophobicContact CB-CB 4.31Å; K62-E78 WeakPolarHBondContact CD-OE2 3.43Å; K62-E78 WeakPolarHBondContact CE-OE2 3.49Å; K62-E78 PolarHBondContact N-O 2.83Å; K62-E78 VanDerWaalsContact N-O 3.11Å; K62-E78 IonicContact NZ-OE2 3.59Å; K62-E78 PolarHBondContact NZ-OE2 2.52Å; K62-E78 PolarHBondContact O-N 3.19Å; R64-E78 HydrophobicContact CB-CG 4.34Å; R64-E78 WeakPolarHBondContact CD-OE1 3.3Å; R64-E78 IonicContact CZ-OE1 2.74Å; R64-E78 IonicContact NE-OE1 3.14Å; R64-E78 IonicContact NH1-OE1 3.7Å; R64-E78 PolarHBondContact NH1-OE1 2.8Å; E78-E92 CarbonylContact C-O 3.09Å; E78-E92 WeakPolarHBondContact CA-O 3.49Å; E78-R93 HydrophobicContact CG-CG 4.38Å
79	H	96.9	Very high	94.1	Very high	127 Å²	127	75.1 Å²	75.1	59%	0.588	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	53.2	61.1	-176	-48.8	-64.5	0	0	0	112	A60 G61 E92	A60-H79 WeakPolarHBondContact CA-O 3.37Å; G61-H79 PolarHBondContact N-O 2.87Å; H79-E92 PolarHBondContact N-O 3.22Å
80	V	97.4	Very high	94.3	Very high	0 Å²	0	79.1 Å²	79.1	0%	0	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	127.7	-177.1	-170.5	0	0	0	0	110.1	F58 R59 A60 M77 F82 F90 A91 V94 F96	F58-V80 HydrophobicContact CB-CG1 4.34Å; F58-V80 HydrophobicContact CD2-CG1 4.29Å; R59-V80 CarbonylContact O-C 3.59Å; R59-V80 WeakPolarHBondContact O-CA 3.49Å; A60-V80 HydrophobicContact CB-CG2 4.09Å; M77-V80 HydrophobicContact CB-CG2 3.69Å; V80-F82 HydrophobicContact CB-CE2 4.2Å; V80-F82 HydrophobicContact CG1-CD2 4.1Å; V80-F82 HydrophobicContact CG1-CE1 4.13Å; V80-F82 HydrophobicContact CG1-CE2 3.61Å; V80-F82 HydrophobicContact CG1-CZ 3.62Å; V80-F90 CarbonylContact O-C 3.53Å; V80-F90 WeakPolarHBondContact O-CA 3.26Å; V80-A91 PolarHBondContact N-O 2.9Å; V80-A91 PolarHBondContact O-N 3.21Å; V80-V94 HydrophobicContact CB-CG2 3.88Å; V80-V94 HydrophobicContact CG1-CG2 4.34Å; V80-V94 HydrophobicContact CG2-CB 4.04Å; V80-V94 HydrophobicContact CG2-CG2 3.76Å; V80-F96 HydrophobicContact CG1-CZ 4.4Å
81	E	97.4	Very high	94.6	Very high	41 Å²	41	73.6 Å²	73.6	19%	0.192	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	115.5	171.6	-179.3	-173.7	174.2	0	0	108.3	F58 R59 R83 V88 F90	F58-E81 CarbonylContact C-O 3.56Å; F58-E81 WeakPolarHBondContact CA-O 3.41Å; R59-E81 PolarHBondContact N-O 2.79Å; R59-E81 PolarHBondContact O-N 2.76Å; E81-R83 HydrophobicContact CG-CG 4.34Å; E81-R83 IonicContact OE1-CZ 3.42Å; E81-R83 IonicContact OE1-NE 3.97Å; E81-R83 PolarHBondContact OE1-NE 2.89Å; E81-R83 IonicContact OE1-NH2 2.69Å; E81-R83 PolarHBondContact OE1-NH2 3.3Å; E81-R83 IonicContact OE2-NE 2.67Å; E81-R83 IonicContact OE2-NH2 3.38Å; E81-R83 PolarHBondContact OE2-NH2 2.88Å; E81-V88 HydrophobicContact CG-CG1 3.6Å; E81-V88 WeakPolarHBondContact OE1-CG1 3.49Å; E81-F90 HydrophobicContact CB-CD1 3.99Å; E81-F90 HydrophobicContact CB-CE1 3.84Å; E81-F90 HydrophobicContact CG-CD1 4.08Å; E81-F90 HydrophobicContact CG-CE1 3.56Å; E81-F90 HydrophobicContact CG-CZ 4.04Å
82	F	96.8	Very high	95	Very high	41 Å²	41	76.1 Å²	76.1	18%	0.18	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	135	169.5	-63.3	-82.4	0	0	0	109.6	V56 Q57 F58 V80 V88 V89 A91 V94 F96	V56-F82 HydrophobicContact CG1-CB 4.26Å; V56-F82 HydrophobicContact CG1-CD1 4.08Å; Q57-F82 CarbonylContact O-C 3.5Å; Q57-F82 WeakPolarHBondContact O-CA 3.24Å; F58-F82 HydrophobicContact CB-CD1 3.62Å; F58-F82 HydrophobicContact CB-CE1 3.88Å; F58-F82 HydrophobicContact CB-CG 4.39Å; F58-F82 HydrophobicContact CG-CD1 4.49Å; F58-F82 HydrophobicContact CG-CE1 4.32Å; V80-F82 HydrophobicContact CB-CE2 4.2Å; V80-F82 HydrophobicContact CG1-CD2 4.1Å; V80-F82 HydrophobicContact CG1-CE1 4.13Å; V80-F82 HydrophobicContact CG1-CE2 3.61Å; V80-F82 HydrophobicContact CG1-CZ 3.62Å; F82-V88 CarbonylContact O-C 3.52Å; F82-V88 VanDerWaalsContact O-CA 3.28Å; F82-V88 WeakPolarHBondContact O-CA 3.39Å; F82-V89 HydrophobicContact CB-CB 4.35Å; F82-V89 PolarHBondContact N-O 3.17Å; F82-V89 PolarHBondContact O-N 2.85Å; F82-A91 HydrophobicContact CE2-CB 4.25Å; F82-V94 HydrophobicContact CE2-CG2 3.89Å; F82-V94 HydrophobicContact CZ-CG1 4.17Å; F82-V94 HydrophobicContact CZ-CG2 4.04Å; F82-F96 HydrophobicContact CE1-CE1 4.08Å; F82-F96 AromaticContact CE1-CZ 3.9Å; F82-F96 HydrophobicContact CE1-CZ 3.9Å; F82-F96 HydrophobicContact CZ-CE1 4.24Å; F82-F96 AromaticContact CZ-CZ 3.77Å; F82-F96 HydrophobicContact CZ-CZ 3.77Å
83	R	94.7	Very high	95.1	Very high	105 Å²	105	81 Å²	81	40%	0.396	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	115.8	174.5	-61.2	-173.9	179.1	-174.2	-1.8	109.4	Q57 E81 V88	Q57-R83 HydrophobicContact CB-CB 4.46Å; Q57-R83 PolarHBondContact N-O 2.87Å; Q57-R83 PolarHBondContact O-N 2.81Å; E81-R83 HydrophobicContact CG-CG 4.34Å; E81-R83 IonicContact OE1-CZ 3.42Å; E81-R83 IonicContact OE1-NE 3.97Å; E81-R83 PolarHBondContact OE1-NE 2.89Å; E81-R83 IonicContact OE1-NH2 2.69Å; E81-R83 PolarHBondContact OE1-NH2 3.3Å; E81-R83 IonicContact OE2-NE 2.67Å; E81-R83 IonicContact OE2-NH2 3.38Å; E81-R83 PolarHBondContact OE2-NH2 2.88Å; R83-V88 HydrophobicContact CG-CG1 4.39Å; R83-V88 HydrophobicContact CG-CG2 4.23Å
84	D	90.1	Very high	95.2	Very high	69 Å²	69	76.5 Å²	76.5	37%	0.369	37%	0.373	S	S	.	.			trans	-101.5	168.6	160.2	-161.5	-8	0	0	0	108.5	Q86 E87	D84-Q86 PolarHBondContact O-N 2.83Å; D84-E87 PolarHBondContact N-O 2.87Å; D84-E87 PolarHBondContact O-N 2.83Å
85	T	86.5	Confident	95.2	Very high	130 Å²	130	80.6 Å²	80.6	80%	0.798	39%	0.389	S	S	*	.	S	Bend	trans	-41.8	-36.8	-172	-49.8	0	0	0	0	114.2
86	Q	85.7	Confident	95.1	Very high	189 Å²	189	78.6 Å²	78.6	88%	0.883	38%	0.381	S	S	*	.	S	Bend	trans	-132	-1.2	-178.2	-62.3	-175.6	-22.3	0	0	113.7	D84	D84-Q86 PolarHBondContact O-N 2.83Å
87	E	92.2	Very high	95	Very high	130 Å²	130	78.9 Å²	78.9	61%	0.607	38%	0.382	S	S	*	.			trans	-129.1	138.5	-171.2	-67	-171.8	175.6	0	0	111.3	D84	D84-E87 PolarHBondContact N-O 2.87Å; D84-E87 PolarHBondContact O-N 2.83Å
88	V	93.9	Very high	94.9	Very high	75 Å²	75	78.6 Å²	78.6	46%	0.455	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	122.1	173.4	-174.4	0	0	0	0	108.4	E81 F82 R83 F90	E81-V88 HydrophobicContact CG-CG1 3.6Å; E81-V88 WeakPolarHBondContact OE1-CG1 3.49Å; F82-V88 CarbonylContact O-C 3.52Å; F82-V88 VanDerWaalsContact O-CA 3.28Å; F82-V88 WeakPolarHBondContact O-CA 3.39Å; R83-V88 HydrophobicContact CG-CG1 4.39Å; R83-V88 HydrophobicContact CG-CG2 4.23Å; V88-F90 HydrophobicContact CG1-CD2 4.37Å; V88-F90 HydrophobicContact CG1-CE1 4.41Å; V88-F90 HydrophobicContact CG1-CE2 3.67Å; V88-F90 HydrophobicContact CG1-CZ 3.7Å
89	V	95.9	Very high	94.6	Very high	78 Å²	78	79 Å²	79	47%	0.473	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	127.6	-179.6	-179.3	0	0	0	0	108.9	F82	F82-V89 HydrophobicContact CB-CB 4.35Å; F82-V89 PolarHBondContact N-O 3.17Å; F82-V89 PolarHBondContact O-N 2.85Å
90	F	96.4	Very high	94.1	Very high	147 Å²	147	76.1 Å²	76.1	65%	0.645	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.4	139.8	176.2	-63.2	-86.5	0	0	0	110.5	V80 E81 V88	V80-F90 CarbonylContact O-C 3.53Å; V80-F90 WeakPolarHBondContact O-CA 3.26Å; E81-F90 HydrophobicContact CB-CD1 3.99Å; E81-F90 HydrophobicContact CB-CE1 3.84Å; E81-F90 HydrophobicContact CG-CD1 4.08Å; E81-F90 HydrophobicContact CG-CE1 3.56Å; E81-F90 HydrophobicContact CG-CZ 4.04Å; V88-F90 HydrophobicContact CG1-CD2 4.37Å; V88-F90 HydrophobicContact CG1-CE1 4.41Å; V88-F90 HydrophobicContact CG1-CE2 3.67Å; V88-F90 HydrophobicContact CG1-CZ 3.7Å
91	A	96.5	Very high	93.4	Very high	29 Å²	29	79 Å²	79	24%	0.24	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	131.4	173.7	0	0	0	0	0	109.9	V80 F82 R93 V94	V80-A91 PolarHBondContact N-O 2.9Å; V80-A91 PolarHBondContact O-N 3.21Å; F82-A91 HydrophobicContact CE2-CB 4.25Å; A91-R93 VanDerWaalsContact C-N 3.34Å; A91-R93 PolarHBondContact O-N 2.85Å; A91-V94 HydrophobicContact CB-CG2 3.48Å; A91-V94 VanDerWaalsContact CB-CG2 3.48Å
92	E	97.4	Very high	92.1	Very high	159 Å²	159	85.8 Å²	85.8	74%	0.743	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64	-41.8	180	-174.3	-177.8	177.9	0	0	111.5	E78 H79	E78-E92 CarbonylContact C-O 3.09Å; E78-E92 WeakPolarHBondContact CA-O 3.49Å; H79-E92 PolarHBondContact N-O 3.22Å
93	R	96.5	Very high	90.1	Very high	140 Å²	140	86.6 Å²	86.6	53%	0.528	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	131.9	-179.1	-172.7	174.4	175.3	-175.1	-3	110.9	V76 M77 E78 A91	V76-R93 HydrophobicContact CG1-CG 4Å; V76-R93 VanDerWaalsContact CG1-NE 3.33Å; M77-R93 CarbonylContact O-C 3.52Å; M77-R93 VanDerWaalsContact O-CA 3.31Å; M77-R93 WeakPolarHBondContact O-CA 3.47Å; E78-R93 HydrophobicContact CG-CG 4.38Å; A91-R93 VanDerWaalsContact C-N 3.34Å; A91-R93 PolarHBondContact O-N 2.85Å
94	V	97.3	Very high	88.2	Confident	11 Å²	11	87.5 Å²	87.5	7%	0.067	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	135.7	179.8	-174.7	0	0	0	0	110.6	V76 M77 V80 F82 A91 F96 A119	V76-V94 WeakPolarHBondContact CA-O 3.41Å; M77-V94 PolarHBondContact N-O 2.83Å; M77-V94 PolarHBondContact O-N 3.19Å; V80-V94 HydrophobicContact CB-CG2 3.88Å; V80-V94 HydrophobicContact CG1-CG2 4.34Å; V80-V94 HydrophobicContact CG2-CB 4.04Å; V80-V94 HydrophobicContact CG2-CG2 3.76Å; F82-V94 HydrophobicContact CE2-CG2 3.89Å; F82-V94 HydrophobicContact CZ-CG1 4.17Å; F82-V94 HydrophobicContact CZ-CG2 4.04Å; A91-V94 HydrophobicContact CB-CG2 3.48Å; A91-V94 VanDerWaalsContact CB-CG2 3.48Å; V94-F96 HydrophobicContact CB-CD2 4.41Å; V94-F96 HydrophobicContact CB-CE2 3.8Å; V94-F96 HydrophobicContact CB-CZ 4.25Å; V94-F96 HydrophobicContact CG1-CD2 3.99Å; V94-F96 HydrophobicContact CG1-CE1 4.28Å; V94-F96 HydrophobicContact CG1-CE2 3.56Å; V94-F96 HydrophobicContact CG1-CZ 3.73Å; V94-A119 HydrophobicContact CG1-CB 4.11Å
95	K	96.9	Very high	85.9	Confident	98 Å²	98	90.4 Å²	90.4	43%	0.426	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	121.8	168.5	-177.6	-176.9	176.7	-175.1	0	109.4	T74 F75 V76 V97	T74-K95 HydrophobicContact CG2-CG 4.3Å; F75-K95 CarbonylContact O-C 3.6Å; F75-K95 WeakPolarHBondContact O-CA 3.49Å; V76-K95 HydrophobicContact CG2-CG 4.37Å; K95-V97 HydrophobicContact CD-CG2 4.42Å; K95-V97 HydrophobicContact CG-CG2 4.26Å
96	F	96.4	Very high	83.9	Confident	12 Å²	12	87.8 Å²	87.8	5%	0.053	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	130.7	171.9	-63.4	-93	0	0	0	109.1	F58 T74 F75 M77 V80 F82 V94 A117	F58-F96 HydrophobicContact CD2-CZ 4.14Å; F58-F96 HydrophobicContact CE2-CZ 4.13Å; F58-F96 HydrophobicContact CG-CZ 4.48Å; F58-F96 HydrophobicContact CZ-CE1 4.46Å; F58-F96 HydrophobicContact CZ-CZ 4.45Å; T74-F96 CarbonylContact C-O 3.6Å; T74-F96 VanDerWaalsContact CA-O 3.24Å; T74-F96 WeakPolarHBondContact CA-O 3.28Å; F75-F96 HydrophobicContact CB-CB 4.2Å; F75-F96 HydrophobicContact CB-CD2 4.46Å; F75-F96 HydrophobicContact CD2-CB 4.14Å; F75-F96 PolarHBondContact N-O 3.34Å; F75-F96 PolarHBondContact O-N 2.87Å; M77-F96 HydrophobicContact CB-CE2 4.29Å; M77-F96 HydrophobicContact CE-CD2 4.26Å; M77-F96 HydrophobicContact CE-CE2 4.41Å; M77-F96 HydrophobicContact CG-CD2 4.28Å; M77-F96 HydrophobicContact CG-CE2 4.17Å; M77-F96 HydrophobicContact SD-CD2 4.08Å; M77-F96 HydrophobicContact SD-CE2 3.72Å; V80-F96 HydrophobicContact CG1-CZ 4.4Å; F82-F96 HydrophobicContact CE1-CE1 4.08Å; F82-F96 AromaticContact CE1-CZ 3.9Å; F82-F96 HydrophobicContact CE1-CZ 3.9Å; F82-F96 HydrophobicContact CZ-CE1 4.24Å; F82-F96 AromaticContact CZ-CZ 3.77Å; F82-F96 HydrophobicContact CZ-CZ 3.77Å; V94-F96 HydrophobicContact CB-CD2 4.41Å; V94-F96 HydrophobicContact CB-CE2 3.8Å; V94-F96 HydrophobicContact CB-CZ 4.25Å; V94-F96 HydrophobicContact CG1-CD2 3.99Å; V94-F96 HydrophobicContact CG1-CE1 4.28Å; V94-F96 HydrophobicContact CG1-CE2 3.56Å; V94-F96 HydrophobicContact CG1-CZ 3.73Å; F96-A117 HydrophobicContact CD1-CB 3.59Å; F96-A117 HydrophobicContact CE1-CB 3.88Å
97	V	95.7	Very high	81.7	Confident	23 Å²	23	81.9 Å²	81.9	14%	0.139	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	122.6	170.7	-174.7	0	0	0	0	107.8	L5 V72 W73 T74 K95	L5-V97 HydrophobicContact CD1-CB 4.08Å; L5-V97 HydrophobicContact CD1-CG1 3.58Å; L5-V97 HydrophobicContact CD2-CB 4.44Å; L5-V97 HydrophobicContact CD2-CG1 4.15Å; V72-V97 HydrophobicContact CG1-CG1 3.68Å; W73-V97 WeakPolarHBondContact O-CA 3.46Å; T74-V97 HydrophobicContact CG2-CG2 4.33Å; K95-V97 HydrophobicContact CD-CG2 4.42Å; K95-V97 HydrophobicContact CG-CG2 4.26Å
98	A	94.4	Very high	78.8	Confident	19 Å²	19	81.3 Å²	81.3	16%	0.157	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	124.6	-174.3	0	0	0	0	0	111.1	V72 W73	V72-A98 CarbonylContact C-O 3.57Å; V72-A98 WeakPolarHBondContact CA-O 3.14Å; W73-A98 HydrophobicContact CB-CB 4.35Å; W73-A98 PolarHBondContact N-O 2.69Å; W73-A98 PolarHBondContact O-N 2.74Å
99	C	92	Very high	76	Confident	35 Å²	35	80.8 Å²	80.8	24%	0.236	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	156.3	170.4	-58.2	0	0	0	0	110.1	Y3 G101	Y3-C99 HydrophobicContact CD1-CB 3.85Å; Y3-C99 HydrophobicContact CE1-CB 3.64Å; Y3-C99 HydrophobicContact CE2-CB 4.3Å; Y3-C99 HydrophobicContact CG-CB 4.31Å; C99-G101 PolarHBondContact O-N 2.93Å
100	D	86.4	Confident	73.4	Confident	68 Å²	68	86 Å²	86	36%	0.364	52%	0.516	S	S	.	.			trans	-63	120.6	177.6	-172.6	-1.3	0	0	0	112.1	Y3 R102	Y3-D100 PolarHBondContact OH-O 3.24Å; D100-R102 PolarHBondContact O-N 2.77Å; D100-R102 VanDerWaalsContact OD1-CB 3.29Å; D100-R102 WeakPolarHBondContact OD1-CB 3.49Å; D100-R102 VanDerWaalsContact OD1-CG 3.23Å; D100-R102 WeakPolarHBondContact OD1-CG 3.34Å; D100-R102 PolarHBondContact OD1-N 2.9Å
101	G	81.5	Confident	70.7	Confident	59 Å²	59	83.5 Å²	83.5	61%	0.608	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-68.7	-14.6	176.6	0	0	0	0	0	114.4	C99 A103	C99-G101 PolarHBondContact O-N 2.93Å; G101-A103 VanDerWaalsContact C-N 3.32Å; G101-A103 PolarHBondContact O-N 2.8Å
102	R	69.9	Low	67.9	Low	184 Å²	184	86.3 Å²	86.3	69%	0.694	54%	0.538	S	S	*	.	G	3₁₀ helix	trans	-76	-13.7	-172.9	-63	171.1	-178.3	170.2	2.2	114.5	D100 N104	D100-R102 PolarHBondContact O-N 2.77Å; D100-R102 VanDerWaalsContact OD1-CB 3.29Å; D100-R102 WeakPolarHBondContact OD1-CB 3.49Å; D100-R102 VanDerWaalsContact OD1-CG 3.23Å; D100-R102 WeakPolarHBondContact OD1-CG 3.34Å; D100-R102 PolarHBondContact OD1-N 2.9Å; R102-N104 PolarHBondContact O-N 2.94Å
103	A	56.4	Low	64.9	Low	58 Å²	58	83.9 Å²	83.9	48%	0.479	55%	0.545	S	S	.	.	G	3₁₀ helix	trans	-73.5	8.1	-176.9	0	0	0	0	0	114.8	Y3 G101 P105	Y3-A103 WeakPolarHBondContact OH-CB 3.44Å; G101-A103 VanDerWaalsContact C-N 3.32Å; G101-A103 PolarHBondContact O-N 2.8Å; A103-P105 WeakPolarHBondContact O-CD 3.29Å
104	N	55.1	Low	61.9	Low	125 Å²	125	82.2 Å²	82.2	67%	0.668	56%	0.555	S	S	*	*	S	Bend	trans	-89.7	108.8	170.3	-154.7	23.7	0	0	0	109.1	R102 G106	R102-N104 PolarHBondContact O-N 2.94Å; N104-G106 PolarHBondContact O-N 3.28Å
105	P	40.9	Very low	59.1	Low	130 Å²	130	85.7 Å²	85.7	84%	0.844	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	25.1	-168.6	-15.7	30.9	0	0	0	116	A103	A103-P105 WeakPolarHBondContact O-CD 3.29Å
106	G	44.1	Very low	56.3	Low	75 Å²	75	83.2 Å²	83.2	77%	0.773	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.1	10.1	-170	0	0	0	0	0	116.3	N104	N104-G106 PolarHBondContact O-N 3.28Å
107	G	39.5	Very low	53.7	Low	64 Å²	64	85.3 Å²	85.3	66%	0.66	60%	0.597	S	S	*	*			trans	-141.8	86.7	-176.5	0	0	0	0	0	112.6	G109	G107-G109 PolarHBondContact O-N 3.26Å
108	A	32.5	Very low	51.2	Low	118 Å²	118	85.5 Å²	85.5	98%	0.975	60%	0.598	S	S	*	*			trans	-69.7	101.9	158.6	0	0	0	0	0	107.7
109	G	34.2	Very low	48.5	Very low	64 Å²	64	87.6 Å²	87.6	66%	0.66	62%	0.615	S	S	*	*	S	Bend	trans	164.1	104.1	177.1	0	0	0	0	0	111.7	G107	G107-G109 PolarHBondContact O-N 3.26Å
110	E	41.2	Very low	46.1	Very low	187 Å²	187	88.8 Å²	88.8	87%	0.874	62%	0.624	S	S	*	*			trans	50.3	134.3	153.9	-130.5	162.5	127.2	0	0	119.3	A112	E110-A112 VanDerWaalsContact C-N 3.31Å; E110-A112 PolarHBondContact O-N 3.04Å
111	P	39.6	Very low	43.9	Very low	95 Å²	95	91.1 Å²	91.1	62%	0.617	65%	0.646	S	S	*	*			trans	-72.9	84.3	-179.5	32.8	-35.1	0	0	0	110.8	A113	P111-A113 PolarHBondContact O-N 3.39Å
112	A	37.1	Very low	41.7	Very low	89 Å²	89	92 Å²	92	74%	0.736	66%	0.655	S	S	*	*			trans	-78.4	107.7	163.1	0	0	0	0	0	108.2	E110 S114	E110-A112 VanDerWaalsContact C-N 3.31Å; E110-A112 PolarHBondContact O-N 3.04Å; A112-S114 VanDerWaalsContact C-N 3.3Å; A112-S114 PolarHBondContact O-N 2.91Å
113	A	34.5	Very low	39.9	Very low	108 Å²	108	86.4 Å²	86.4	89%	0.893	66%	0.655	S	S	*	*			trans	-60.8	89.6	173.2	0	0	0	0	0	110.3	P111	P111-A113 PolarHBondContact O-N 3.39Å
114	S	33.6	Very low	39	Very low	105 Å²	105	91 Å²	91	73%	0.734	67%	0.671	S	S	*	*			trans	-115	74.6	170.4	165.8	0	0	0	0	107.9	A112	A112-S114 VanDerWaalsContact C-N 3.3Å; A112-S114 PolarHBondContact O-N 2.91Å
115	S	38.9	Very low	38	Very low	84 Å²	84	89.9 Å²	89.9	59%	0.587	67%	0.673	S	S	*	*			trans	-83	114.3	168	48.1	0	0	0	0	109.1	A117	S115-A117 PolarHBondContact O-N 3.42Å; S115-A117 VanDerWaalsContact O-N 3.14Å
116	A	39.1	Very low	37.7	Very low	46 Å²	46	97.2 Å²	97.2	38%	0.38	69%	0.693	S	S	.	*			trans	-67.4	105.9	161.8	0	0	0	0	0	107.7	Y6 V118	Y6-A116 HydrophobicContact CE1-CB 4.46Å; Y6-A116 WeakPolarHBondContact OH-CB 3.23Å; A116-V118 PolarHBondContact O-N 2.81Å
117	A	41.8	Very low	37.4	Very low	56 Å²	56	98.4 Å²	98.4	46%	0.463	69%	0.688	S	S	.	*			trans	-78.9	112.2	169.8	0	0	0	0	0	108.3	F96 S115 A119	F96-A117 HydrophobicContact CD1-CB 3.59Å; F96-A117 HydrophobicContact CE1-CB 3.88Å; S115-A117 PolarHBondContact O-N 3.42Å; S115-A117 VanDerWaalsContact O-N 3.14Å; A117-A119 PolarHBondContact O-N 2.78Å
118	V	41.5	Very low	37.3	Very low	26 Å²	26	100.2 Å²	100.2	16%	0.158	69%	0.69	C	S	.	*			trans	-83.6	106.4	161	177.5	0	0	0	0	106.9	Y6 T9 A116 S120	Y6-V118 HydrophobicContact CD1-CG2 3.72Å; Y6-V118 HydrophobicContact CE1-CG2 3.71Å; T9-V118 HydrophobicContact CG2-CB 4.49Å; T9-V118 HydrophobicContact CG2-CG1 3.63Å; T9-V118 HydrophobicContact CG2-CG2 3.98Å; A116-V118 PolarHBondContact O-N 2.81Å; V118-S120 PolarHBondContact O-N 3.34Å
119	A	39.3	Very low	37.6	Very low	63 Å²	63	99.2 Å²	99.2	52%	0.521	67%	0.674	S	S	.	*			trans	-82.6	104.6	164.3	0	0	0	0	0	107.6	V94 A117	V94-A119 HydrophobicContact CG1-CB 4.11Å; A117-A119 PolarHBondContact O-N 2.78Å
120	S	40.7	Very low	37.8	Very low	60 Å²	60	101.2 Å²	101.2	42%	0.42	68%	0.675	S	S	.	*			trans	-86.7	112.7	163.6	58.2	0	0	0	0	107.2	V118 G122	V118-S120 PolarHBondContact O-N 3.34Å; S120-G122 PolarHBondContact O-N 3.18Å
121	S	39.8	Very low	37.6	Very low	118 Å²	118	95.9 Å²	95.9	83%	0.825	66%	0.663	S	S	*	*			trans	-66.7	100.6	163.9	52.5	0	0	0	0	107.4	G123	S121-G123 VanDerWaalsContact C-N 3.32Å; S121-G123 PolarHBondContact O-N 2.77Å
122	G	35.5	Very low	37.4	Very low	78 Å²	78	95.9 Å²	95.9	80%	0.804	67%	0.666	S	S	*	*			trans	-69	95.5	166.6	0	0	0	0	0	108.1	S120	S120-G122 PolarHBondContact O-N 3.18Å
123	G	32.4	Very low	37.4	Very low	66 Å²	66	96.4 Å²	96.4	68%	0.68	66%	0.661	S	S	*	*			trans	-84.4	113.2	156.4	0	0	0	0	0	107.3	S121	S121-G123 VanDerWaalsContact C-N 3.32Å; S121-G123 PolarHBondContact O-N 2.77Å
124	D	37.5	Very low	37.7	Very low	153 Å²	153	95.5 Å²	95.5	82%	0.818	64%	0.643	S	S	*	*			trans	-151.3	98.8	160.1	-92.8	-33.7	0	0	0	108.2
125	S	34.2	Very low	38	Very low	103 Å²	103	94.8 Å²	94.8	72%	0.72	64%	0.635	S	S	*	*			trans	19.2	101.8	139.2	48.1	0	0	0	0	119.7
126	F	35.2	Very low	37.9	Very low	284 Å²	284	95.7 Å²	95.7	100%	1.246	64%	0.64	S	S	*	*				-165.3	0	104.6	-118.3	-83.7	0	0	0	109.4

Retrieved 126 of 126 residues in 56.2 ms (Link to these results)

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